N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone
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Basic information
- CAS
93491-53-3- Standard SMILES
O=C1CCCN1CC#CCN1CCCC1CCl- InChIKey
BJYJRZSKQPOPDR-UHFFFAOYSA-N- Molecular formula
- C13H19ClN2O
- Average molar mass
- 254.75 g/mol
- Monoisotopic mass
- 254.1185909
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone
- IUPAC
- 1-[4-[2-(chloromethyl)pyrrolidin-1-yl]but-2-ynyl]pyrrolidin-2-one
- English name
- N-(4-(2-Chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone
- Molecular weight
- 0
Names & synonyms
BM-130N-(4-(2-Chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone93491-53-32-Pyrrolidinone, 1-(4-(2-(chloromethyl)-1-pyrrolidinyl)-2-butynyl)-N-[4-(2-chloromethylpyrrolidino)-2-butynyl]-2-pyrrolidoneRefChem:162033BM 1301-[4-[2-(chloromethyl)pyrrolidin-1-yl]but-2-ynyl]pyrrolidin-2-oneSCHEMBL29489340DTXSID109184001-{4-[2-(CHLOROMETHYL)PYRROLIDIN-1-YL]BUT-2-YN-1-YL}PYRROLIDIN-2-ONE1-[4-(2-Chloromethyl-1-pyrrolidinyl)-2-butynyl]pyrrolidin-2-one
Database identifiers
- CAS
93491-53-3- PubChem CID
- 146435
- DTXSID
DTXSID10918400- Nikkaji
- J21.730A
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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