Basic information
- CAS
3671-00-9- Standard SMILES
CN1CCC(c2c[nH]c3ccccc23)C1- InChIKey
GIUCRWSFDBHBDT-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- 3-(1-Methylpyrrolidin-3-yl)-1H-indole
- IUPAC
- 3-(1-methylpyrrolidin-3-yl)-1H-indole
- English name
- 3-(1-Methyl-3-pyrrolidinyl)-1H-indole
- Molecular weight
- 0
Names & synonyms
3-(1-methylpyrrolidin-3-yl)-1H-indoleDTXSID601031949RefChem:1066403DTXCID9015169463671-00-9INDOLE, 3-(1-METHYL-3-PYRROLIDINYL)-1H-Indole, 3-(1-methyl-3-pyrrolidinyl)-MLS0007365813-(1-Methyl-3-pyrrolidinyl)indoleNSC 43512BRN 09126433-(1-Methyl-3-pyrrolidinyl)-1H-indole
Show more names
NSC43512SCHEMBL5253835CHEMBL1340424GIUCRWSFDBHBDT-UHFFFAOYSA-NNSC-43512NCGC00246810-01SMR000528205Z1509146491
Database identifiers
- CAS
3671-00-9- PubChem CID
- 19337
- DTXSID
DTXSID601031949- ChEMBL
CHEMBL1340424- Nikkaji
- J41.069A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 328.02 °C · 328.02°C (rough estimate)
- Density
- 1.0701 · 1.0701 (rough estimate)
- refractive index
- 1.5014 · 1.5014 (estimate)
Related reactions
2 records
Compound notes
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