1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile

C15H14N2O — CID 116921524

IUPAC1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile
SMILESCn1cc(C(=O)C2(C#N)CCC2)c2ccccc21
InChIInChI=1S/C15H14N2O/c1-17-9-12(11-5-2-3-6-13(11)17)14(18)15(10-16)7-4-8-15/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeySRMKROCCXDBAFX-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.05
Rot. Bonds2

About 1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile

1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 116921524) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile
PubChem CID116921524
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile
SMILESCn1cc(C(=O)C2(C#N)CCC2)c2ccccc21
InChIInChI=1S/C15H14N2O/c1-17-9-12(11-5-2-3-6-13(11)17)14(18)15(10-16)7-4-8-15/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeySRMKROCCXDBAFX-UHFFFAOYSA-N
XLogP3.05
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone
CID 14069774
1-(1-methylindole-3-carbonyl)cyclopropane-1-carboxylic acid
CID 116920986
(1-methylindol-3-yl)-(1-phenylcyclopropyl)methanone
CID 62877077
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-methylindole-3-carbothioic S-acid
CID 116918837
[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone
CID 116922589
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate
CID 85370263
1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538552
2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391841

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile (CID 116921524) is 1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile is Cn1cc(C(=O)C2(C#N)CCC2)c2ccccc21.
What is the InChIKey of 1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is SRMKROCCXDBAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17-9-12(11-5-2-3-6-13(11)17)14(18)15(10-16)7-4-8-15/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of 1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile?
1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindole-3-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116921524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).