(2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone

C17H22N2O — CID 142700643

IUPAC(2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone
SMILESCCCCC1(C(=O)c2ccc3[nH]ccc3c2)CCCN1
InChIInChI=1S/C17H22N2O/c1-2-3-8-17(9-4-10-19-17)16(20)14-5-6-15-13(12-14)7-11-18-15/h5-7,11-12,18-19H,2-4,8-10H2,1H3
InChIKeyLCNNPYZFISVRDK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.66
Rot. Bonds5

About (2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone

(2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone (PubChem CID 142700643) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name(2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone
PubChem CID142700643
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone
SMILESCCCCC1(C(=O)c2ccc3[nH]ccc3c2)CCCN1
InChIInChI=1S/C17H22N2O/c1-2-3-8-17(9-4-10-19-17)16(20)14-5-6-15-13(12-14)7-11-18-15/h5-7,11-12,18-19H,2-4,8-10H2,1H3
InChIKeyLCNNPYZFISVRDK-UHFFFAOYSA-N
XLogP3.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone
CID 59744730
(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976718
hexyl 1H-indole-5-carboxylate
CID 90708672
N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
CID 59744791
(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
CID 116608082
(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
CID 116608056
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide
CID 107271586
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
1-(2-propylpyrrolidin-2-yl)octan-1-one
CID 106976688
methyl 2-hexylpyrrolidine-2-carboxylate
CID 123305776
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161

Frequently Asked Questions

What is the IUPAC name of (2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone?
The IUPAC name of (2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone (CID 142700643) is (2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone.
What is the SMILES notation for (2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone?
The canonical SMILES for (2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone is CCCCC1(C(=O)c2ccc3[nH]ccc3c2)CCCN1.
What is the InChIKey of (2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone?
The InChIKey is LCNNPYZFISVRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-3-8-17(9-4-10-19-17)16(20)14-5-6-15-13(12-14)7-11-18-15/h5-7,11-12,18-19H,2-4,8-10H2,1H3.
What are the key properties of (2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone?
(2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone has a molecular weight of 270.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone is sourced from PubChem (CID 142700643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).