1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone

C15H17ClN2O — CID 143390978

IUPAC1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CC2CCNC2)c2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN2O/c1-10(19)14-9-18(8-11-4-5-17-7-11)15-6-12(16)2-3-13(14)15/h2-3,6,9,11,17H,4-5,7-8H2,1H3
InChIKeyFNRZWFNWMBMQJV-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.11
Rot. Bonds3

About 1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone

1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone (PubChem CID 143390978) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone
PubChem CID143390978
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CC2CCNC2)c2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN2O/c1-10(19)14-9-18(8-11-4-5-17-7-11)15-6-12(16)2-3-13(14)15/h2-3,6,9,11,17H,4-5,7-8H2,1H3
InChIKeyFNRZWFNWMBMQJV-UHFFFAOYSA-N
XLogP3.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-chloro-1-[[(3S)-piperidin-3-yl]methyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 59657538
2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide
CID 143500326
3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole
CID 10430391
1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone
CID 143391073
5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide
CID 162488436
[6-chloro-1-[(1-methylpyrrolidin-3-yl)methyl]indol-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone
CID 91171415
1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174
4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide
CID 145106745
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
1-(4-chloro-2-fluorophenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606153
ethyl 6-iodo-4-oxo-1-[[(3R)-piperidin-3-yl]methyl]quinoline-3-carboxylate
CID 59415796
3-(benzenesulfonyl)-6-bromo-1-(pyrrolidin-3-ylmethyl)indole
CID 10002140

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone?
The IUPAC name of 1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone (CID 143390978) is 1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone is CC(=O)c1cn(CC2CCNC2)c2cc(Cl)ccc12.
What is the InChIKey of 1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone?
The InChIKey is FNRZWFNWMBMQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10(19)14-9-18(8-11-4-5-17-7-11)15-6-12(16)2-3-13(14)15/h2-3,6,9,11,17H,4-5,7-8H2,1H3.
What are the key properties of 1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone?
1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone has a molecular weight of 276.77 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone is sourced from PubChem (CID 143390978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).