(1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile

C8H11N — CID 13481035

IUPAC(1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile
SMILESC[C@@H]1C=CCC[C@H]1C#N
InChIInChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2,4,7-8H,3,5H2,1H3/t7-,8+/m1/s1
InChIKeyQNBUNDFJTSPPAD-SFYZADRCSA-N
MW121.18 g/mol
LogP2.11
Rot. Bonds

About (1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile

(1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile (PubChem CID 13481035) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name(1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile
PubChem CID13481035
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile
SMILESC[C@@H]1C=CCC[C@H]1C#N
InChIInChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2,4,7-8H,3,5H2,1H3/t7-,8+/m1/s1
InChIKeyQNBUNDFJTSPPAD-SFYZADRCSA-N
XLogP2.11
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,5R,6S)-5,6-dideuterio-2-methylcyclohex-3-ene-1-carbonitrile
CID 136830170
(6-cyanocyclohex-2-en-1-yl)-diethyl-methylazanium iodide
CID 13153845
(3R,4R)-3,4-dimethylcycloocta-1,5-diene
CID 129383569
(3S)-3-methylcyclopentene
CID 11018803
[(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine
CID 55289732
2-methylcyclobutane-1-carbonitrile
CID 105426925
1-(2-methylcyclohex-3-en-1-yl)ethanone
CID 14493390
(3R,4S)-4-[(1S)-cyclopent-2-en-1-yl]-3-methylcyclopentene
CID 156740514
(4Z)-6-aminocyclooct-4-ene-1-carbonitrile
CID 126636154
cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile
CID 58392287
4-(2,2-dimethylpropyl)-3-methylcyclohexene
CID 59984603
2-methylcyclohex-3-ene-1-carbonyl chloride
CID 45081350

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile?
The IUPAC name of (1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile (CID 13481035) is (1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for (1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile?
The canonical SMILES for (1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile is C[C@@H]1C=CCC[C@H]1C#N.
What is the InChIKey of (1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile?
The InChIKey is QNBUNDFJTSPPAD-SFYZADRCSA-N. The full InChI is InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2,4,7-8H,3,5H2,1H3/t7-,8+/m1/s1.
What are the key properties of (1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile?
(1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile has a molecular weight of 121.18 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 13481035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).