2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile

C12H11NO — CID 122218044

IUPAC2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile
SMILESCC1(CC#N)Cc2ccccc2C1=O
InChIInChI=1S/C12H11NO/c1-12(6-7-13)8-9-4-2-3-5-10(9)11(12)14/h2-5H,6,8H2,1H3
InChIKeyYVEYGMXZYXXUIZ-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.35
Rot. Bonds1

About 2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile

2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile (PubChem CID 122218044) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile
PubChem CID122218044
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile
SMILESCC1(CC#N)Cc2ccccc2C1=O
InChIInChI=1S/C12H11NO/c1-12(6-7-13)8-9-4-2-3-5-10(9)11(12)14/h2-5H,6,8H2,1H3
InChIKeyYVEYGMXZYXXUIZ-UHFFFAOYSA-N
XLogP2.35
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methyl-7-oxo-5H-cyclopenta[c]pyridin-6-yl)acetonitrile
CID 59252736
2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one
CID 141404738
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
2-(2-azidoethyl)-2-methyl-3H-inden-1-one
CID 59542335
3-(3-oxo-2-phenyl-1H-inden-2-yl)propanenitrile
CID 59542257
2-[difluoro(iodo)methyl]-2-methyl-3H-inden-1-one
CID 46831315
2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499
2-methyl-2-nitroso-3H-inden-1-one
CID 86209895
ethyl 6-(2-methyl-3-oxo-1H-inden-2-yl)hex-2-ynoate
CID 102588969
2,2-diethoxy-3H-inden-1-one
CID 11557601
(2R)-2-[(2R)-2-chloro-2-cyanoethyl]-3-oxo-1H-indene-2-carbonitrile
CID 134833139
2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one
CID 44614047

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile?
The IUPAC name of 2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile (CID 122218044) is 2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile.
What is the SMILES notation for 2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile?
The canonical SMILES for 2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile is CC1(CC#N)Cc2ccccc2C1=O.
What is the InChIKey of 2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile?
The InChIKey is YVEYGMXZYXXUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-12(6-7-13)8-9-4-2-3-5-10(9)11(12)14/h2-5H,6,8H2,1H3.
What are the key properties of 2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile?
2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile is sourced from PubChem (CID 122218044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).