(1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile

C8H9NO — CID 124577270

IUPAC(1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile
SMILESC[C@]1(C#N)C=CC(=O)CC1
InChIInChI=1S/C8H9NO/c1-8(6-9)4-2-7(10)3-5-8/h2,4H,3,5H2,1H3/t8-/m0/s1
InChIKeyFUOWQLQSDJGOAD-QMMMGPOBSA-N
MW135.17 g/mol
LogP1.44
Rot. Bonds

About (1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile

(1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile (PubChem CID 124577270) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name(1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile
PubChem CID124577270
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile
SMILESC[C@]1(C#N)C=CC(=O)CC1
InChIInChI=1S/C8H9NO/c1-8(6-9)4-2-7(10)3-5-8/h2,4H,3,5H2,1H3/t8-/m0/s1
InChIKeyFUOWQLQSDJGOAD-QMMMGPOBSA-N
XLogP1.44
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexen-1-one, 4,4-dimethyl-
CID 136839
[(3,3,5,5-Tetramethyl-6-oxocyclohex-1-enecarbonitrile)]
CID 44815555
2-Cyclohexenone, 3-cyano-5,5-dimethyl-
CID 144102
4-Tert-butyl-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
CID 287168
2-Cyclohexen-1-one, 4-ethenyl-4-methyl-
CID 10534710
5,5-Dimethyl-6-oxocyclohexene-1-carbonitrile
CID 15275350
4-Oxocyclohex-2-ene-1-carbonitrile
CID 18973700
2-(3-methylbutyl)-2-[(E)-3-oxobut-1-enyl]propanedinitrile
CID 11084951
(4R,4aR,8aR)-4,8,8-trimethyl-5-oxo-4,8a-dihydro-1H-naphthalene-4a-carbonitrile
CID 11229651
(6E)-5-oxo-6-octenenitrile
CID 11423627
(E)-4-oxo-2-prop-2-enyldodec-5-enenitrile
CID 15046992
4,4-Dimethyl-5-oxocyclopentene-1-carbonitrile
CID 15181972

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile?
The IUPAC name of (1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile (CID 124577270) is (1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for (1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile?
The canonical SMILES for (1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile is C[C@]1(C#N)C=CC(=O)CC1.
What is the InChIKey of (1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile?
The InChIKey is FUOWQLQSDJGOAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9NO/c1-8(6-9)4-2-7(10)3-5-8/h2,4H,3,5H2,1H3/t8-/m0/s1.
What are the key properties of (1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile?
(1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile has a molecular weight of 135.17 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-4-oxocyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 124577270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).