N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone
Basic information
- CAS
35059-06-4- Standard SMILES
CN(CC#CCN1CCCC1=O)CCCl.Cl- InChIKey
IZGRDLKPFOIZGE-UHFFFAOYSA-N- Molecular formula
- C11H18Cl2N2O
- Average molar mass
- 265.18 g/mol
- Monoisotopic mass
- 264.0796186
Overview
RN given refers to mono-HCl; structure
Names & identifiers
- Preferred name
- N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone
- IUPAC
- 1-[4-[2-chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one;hydrochloride
- English name
- N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone
- Molecular weight
- 0
Names & synonyms
Dso-1635059-06-4N-(4-(2-Chloroethylmethylamino)-2-butynyl)-2-pyrrolidoneRefChem:926814BM-1231-(4-((2-Chloroethyl)methylamino)-2-butynyl)-2-pyrrolidinone hydrochlorideBM 123BM 123 hydrochlorideNIOSH/UY5746600DTXSID009564971-(2-Oxo-1-pyrrolidino)-4-(2-chloroethylmethylamino)but-2-yne hydrochlorideUY57466000
Show more names
2-Pyrrolidinone, 1-(4-((2-chloroethyl)methylamino)-2-butynyl)-, hydrochloride2-Pyrrolidinone, 1-(4-((2-chloroethyl)methylamino)-2-butynyl)-, monohydrochloride1-{4-[(2-Chloroethyl)(methyl)amino]but-2-yn-1-yl}pyrrolidin-2-one--hydrogen chloride (1/1)
Database identifiers
- CAS
35059-06-4- PubChem CID
- 169657
- DTXSID
DTXSID00956497
Properties
Computed structural properties
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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