4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one

C13H13ClN2O — CID 168688717

IUPAC4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H13ClN2O/c14-11-6-13(17)16(8-11)7-9-1-2-12-10(5-9)3-4-15-12/h1-5,11,15H,6-8H2
InChIKeyIZWCTCUMJLLYTG-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.51
Rot. Bonds2

About 4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one

4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one (PubChem CID 168688717) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one
PubChem CID168688717
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H13ClN2O/c14-11-6-13(17)16(8-11)7-9-1-2-12-10(5-9)3-4-15-12/h1-5,11,15H,6-8H2
InChIKeyIZWCTCUMJLLYTG-UHFFFAOYSA-N
XLogP2.51
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indol-5-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671071
N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72851780
4-chloro-1-(1H-indol-4-ylmethyl)pyrrolidin-2-one
CID 168688806
4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one
CID 168657379
2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 140663994
4-chloro-1-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168688729
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 95327025
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
4-chloro-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 168687883
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole
CID 56895741
N-cycloheptyl-2-(1H-indol-5-yl)acetamide
CID 84577573
(4aS,8aR)-1-(4-hydroxybutyl)-6-(1H-indol-5-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70717355

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one (CID 168688717) is 4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one is O=C1CC(Cl)CN1Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one?
The InChIKey is IZWCTCUMJLLYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-11-6-13(17)16(8-11)7-9-1-2-12-10(5-9)3-4-15-12/h1-5,11,15H,6-8H2.
What are the key properties of 4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one?
4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one has a molecular weight of 248.71 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168688717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).