1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile

C21H21N3 — CID 21201434

IUPAC1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2CC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C21H21N3/c22-13-18-6-7-21-20(12-18)9-11-24(21)16-19-8-10-23(15-19)14-17-4-2-1-3-5-17/h1-7,9,11-12,19H,8,10,14-16H2
InChIKeyRBFFMFKVFYEDFA-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.04
Rot. Bonds4

About 1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile

1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile (PubChem CID 21201434) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile.

Molecular Properties

Compound Name1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile
PubChem CID21201434
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2CC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C21H21N3/c22-13-18-6-7-21-20(12-18)9-11-24(21)16-19-8-10-23(15-19)14-17-4-2-1-3-5-17/h1-7,9,11-12,19H,8,10,14-16H2
InChIKeyRBFFMFKVFYEDFA-UHFFFAOYSA-N
XLogP4.04
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile
CID 21201418
1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile
CID 21201388
1-[3-[4-[4-[3-(1-benzylpiperidin-4-yl)propanoyl]phenyl]piperidin-1-yl]propyl]indole-5-carbonitrile
CID 175873113
3-(1-benzylpyrrolidin-3-yl)propanenitrile
CID 83909920
1-[3-[4-[4-[3-(1-benzylpiperidin-4-yl)propanoyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]indole-5-carbonitrile
CID 175873104
3-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129367782
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
CID 95784747
1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile
CID 91690059
1-benzyl-3-propylpyrrolidine
CID 12648211
4-(1-benzylpyrrolidin-3-yl)oxybenzonitrile
CID 62917204
4-(1-benzylpiperidin-4-yl)benzonitrile
CID 70029902

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile?
The IUPAC name of 1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile (CID 21201434) is 1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile.
What is the SMILES notation for 1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile?
The canonical SMILES for 1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile is N#Cc1ccc2c(ccn2CC2CCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile?
The InChIKey is RBFFMFKVFYEDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c22-13-18-6-7-21-20(12-18)9-11-24(21)16-19-8-10-23(15-19)14-17-4-2-1-3-5-17/h1-7,9,11-12,19H,8,10,14-16H2.
What are the key properties of 1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile?
1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile has a molecular weight of 315.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile is sourced from PubChem (CID 21201434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).