2-imino-5-methylcyclohex-3-ene-1-carbonitrile

C8H10N2 — CID 123575141

IUPAC2-imino-5-methylcyclohex-3-ene-1-carbonitrile
SMILES[H]/N=C1\C=CC(C)CC1C#N
InChIInChI=1S/C8H10N2/c1-6-2-3-8(10)7(4-6)5-9/h2-3,6-7,10H,4H2,1H3/b10-8+
InChIKeyDLEFTXIBCYLFRM-CSKARUKUSA-N
MW134.18 g/mol
LogP1.74
Rot. Bonds

About 2-imino-5-methylcyclohex-3-ene-1-carbonitrile

2-imino-5-methylcyclohex-3-ene-1-carbonitrile (PubChem CID 123575141) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-imino-5-methylcyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name2-imino-5-methylcyclohex-3-ene-1-carbonitrile
PubChem CID123575141
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-imino-5-methylcyclohex-3-ene-1-carbonitrile
SMILES[H]/N=C1\C=CC(C)CC1C#N
InChIInChI=1S/C8H10N2/c1-6-2-3-8(10)7(4-6)5-9/h2-3,6-7,10H,4H2,1H3/b10-8+
InChIKeyDLEFTXIBCYLFRM-CSKARUKUSA-N
XLogP1.74
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-tert-butyliminocyclohex-3-ene-1-carbonitrile
CID 12578994
3-Imino-5,5-dimethylcyclohexene-1-carbonitrile
CID 22672911
4-Ethanimidoyl-3-methylpent-2-enedinitrile
CID 56628792
3-(2-Iminocyclohexyl)prop-2-enenitrile
CID 57136003
3-(5-Iminocyclohex-3-en-1-yl)prop-2-enenitrile
CID 57276247
2-Butan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69931975
2-(2-Methylpropyl)cyclohexa-2,5-diene-1,4-diimine
CID 69932960
6-Methylcyclohex-2-en-1-imine
CID 86188349
5-Methylcyclohex-2-en-1-imine
CID 86188350
4-Methylcyclohex-2-en-1-imine
CID 86188352
1-Cyclohex-3-en-1-ylethanimine
CID 88885301
6-Imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile
CID 89346723

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-methylcyclohex-3-ene-1-carbonitrile?
The IUPAC name of 2-imino-5-methylcyclohex-3-ene-1-carbonitrile (CID 123575141) is 2-imino-5-methylcyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 2-imino-5-methylcyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 2-imino-5-methylcyclohex-3-ene-1-carbonitrile is [H]/N=C1\C=CC(C)CC1C#N.
What is the InChIKey of 2-imino-5-methylcyclohex-3-ene-1-carbonitrile?
The InChIKey is DLEFTXIBCYLFRM-CSKARUKUSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-2-3-8(10)7(4-6)5-9/h2-3,6-7,10H,4H2,1H3/b10-8+.
What are the key properties of 2-imino-5-methylcyclohex-3-ene-1-carbonitrile?
2-imino-5-methylcyclohex-3-ene-1-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-methylcyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 123575141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).