(1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile

C14H15N — CID 135037492

IUPAC(1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile
SMILESC[C@@]1(C#N)CC=CC[C@@H]1c1ccccc1
InChIInChI=1S/C14H15N/c1-14(11-15)10-6-5-9-13(14)12-7-3-2-4-8-12/h2-8,13H,9-10H2,1H3/t13-,14+/m1/s1
InChIKeyMCOQYTPHYWVJJS-KGLIPLIRSA-N
MW197.28 g/mol
LogP3.65
Rot. Bonds1

About (1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile

(1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile (PubChem CID 135037492) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is (1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name(1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile
PubChem CID135037492
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name(1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile
SMILESC[C@@]1(C#N)CC=CC[C@@H]1c1ccccc1
InChIInChI=1S/C14H15N/c1-14(11-15)10-6-5-9-13(14)12-7-3-2-4-8-12/h2-8,13H,9-10H2,1H3/t13-,14+/m1/s1
InChIKeyMCOQYTPHYWVJJS-KGLIPLIRSA-N
XLogP3.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.65
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

methyl (1S,6R)-1-cyano-6-phenylcyclohex-3-ene-1-carboxylate
CID 11207214
1-methyl-2-(4-phenoxyphenyl)cyclopropane-1-carbonitrile
CID 116841997
1-methyl-4-oxo-2,6-diphenylcyclohexane-1-carbonitrile
CID 69303844
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
1-methylsulfonyl-3-phenylcyclobutane-1-carbonitrile
CID 65017313
1-amino-2-phenylcyclopropane-1-carbonitrile
CID 70611404
1-phenylcyclopent-3-ene-1-carbonitrile
CID 23374575
(3E,7Z)-10-(4-bromophenyl)cyclodeca-3,7-diene-1,1-dicarbonitrile
CID 11359773
(1S,6R)-6-(4-methylphenyl)-1-nitrocyclohex-3-ene-1-carbonitrile
CID 102148177
1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile
CID 116842076
1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile
CID 116842082
methyl 2,2-dicyano-3-phenylcyclobutane-1-carboxylate
CID 85085864

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile?
The IUPAC name of (1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile (CID 135037492) is (1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for (1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile?
The canonical SMILES for (1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile is C[C@@]1(C#N)CC=CC[C@@H]1c1ccccc1.
What is the InChIKey of (1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile?
The InChIKey is MCOQYTPHYWVJJS-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H15N/c1-14(11-15)10-6-5-9-13(14)12-7-3-2-4-8-12/h2-8,13H,9-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of (1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile?
(1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile has a molecular weight of 197.28 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-1-methyl-6-phenylcyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 135037492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).