(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone

C13H13ClN2O — CID 64866390

IUPAC(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1c[nH]c2ccc(Cl)cc12)C1CCCN1
InChIInChI=1S/C13H13ClN2O/c14-8-3-4-11-9(6-8)10(7-16-11)13(17)12-2-1-5-15-12/h3-4,6-7,12,15-16H,1-2,5H2
InChIKeyYEEOSTUTAAJOQE-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.76
Rot. Bonds2

About (5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone

(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone (PubChem CID 64866390) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
PubChem CID64866390
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1c[nH]c2ccc(Cl)cc12)C1CCCN1
InChIInChI=1S/C13H13ClN2O/c14-8-3-4-11-9(6-8)10(7-16-11)13(17)12-2-1-5-15-12/h3-4,6-7,12,15-16H,1-2,5H2
InChIKeyYEEOSTUTAAJOQE-UHFFFAOYSA-N
XLogP2.76
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone
CID 64867873
(5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 162765620
(6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 162765688
(5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63879050
(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 82277575
2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391989
(6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 84639028
(2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one
CID 169025511
(4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 84630313
(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 105396376
1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 113208208
4-(5-chloro-1H-indole-3-carbonyl)piperazine-1-carbaldehyde
CID 113205789

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone (CID 64866390) is (5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone is O=C(c1c[nH]c2ccc(Cl)cc12)C1CCCN1.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is YEEOSTUTAAJOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-8-3-4-11-9(6-8)10(7-16-11)13(17)12-2-1-5-15-12/h3-4,6-7,12,15-16H,1-2,5H2.
What are the key properties of (5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 248.71 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 64866390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).