2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile

C16H18N2O — CID 102571215

IUPAC2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile
SMILESCc1ccc2c(c1)C(CC#N)C(=O)N2CC1CCC1
InChIInChI=1S/C16H18N2O/c1-11-5-6-15-14(9-11)13(7-8-17)16(19)18(15)10-12-3-2-4-12/h5-6,9,12-13H,2-4,7,10H2,1H3
InChIKeyITUXHZTXUQIHNB-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.14
Rot. Bonds3

About 2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile

2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile (PubChem CID 102571215) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile
PubChem CID102571215
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile
SMILESCc1ccc2c(c1)C(CC#N)C(=O)N2CC1CCC1
InChIInChI=1S/C16H18N2O/c1-11-5-6-15-14(9-11)13(7-8-17)16(19)18(15)10-12-3-2-4-12/h5-6,9,12-13H,2-4,7,10H2,1H3
InChIKeyITUXHZTXUQIHNB-UHFFFAOYSA-N
XLogP3.14
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one
CID 114994368
2-[5-methyl-3-(methylamino)-2-oxo-3H-indol-1-yl]acetonitrile
CID 82235293
2-(1-methyl-2-oxo-5-propyl-3H-indol-3-yl)acetonitrile
CID 102571207
3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one
CID 83243422
5-amino-1-(cyclobutylmethyl)-3H-indol-2-one
CID 65457808
(3R)-3-amino-1-(cyclopropylmethyl)-5-nitro-3H-indol-2-one
CID 51601065
3-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83243427
2-(cyclohexylmethyl)-6-methyl-3,4-dihydroisoquinolin-1-one
CID 58318198
6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
CID 43446552
2-(1,7-dimethyl-2-oxo-3H-indol-3-yl)acetonitrile
CID 102571164
3-[(4aR,9bS)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-3-oxopropanenitrile
CID 125420413
2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide
CID 43254827

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile?
The IUPAC name of 2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile (CID 102571215) is 2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile is Cc1ccc2c(c1)C(CC#N)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile?
The InChIKey is ITUXHZTXUQIHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-5-6-15-14(9-11)13(7-8-17)16(19)18(15)10-12-3-2-4-12/h5-6,9,12-13H,2-4,7,10H2,1H3.
What are the key properties of 2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile?
2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile has a molecular weight of 254.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-5-methyl-2-oxo-3H-indol-3-yl]acetonitrile is sourced from PubChem (CID 102571215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).