5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile

C11H14N2 — CID 142562106

IUPAC5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile
SMILESC/N=C(\C)C1=CC(C#N)=C(C)CC1
InChIInChI=1S/C11H14N2/c1-8-4-5-10(9(2)13-3)6-11(8)7-12/h6H,4-5H2,1-3H3/b13-9+
InChIKeyRIRRMRSRETVTIA-UKTHLTGXSA-N
MW174.25 g/mol
LogP2.64
Rot. Bonds1

About 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile

5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile (PubChem CID 142562106) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

Compound Name5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile
PubChem CID142562106
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile
SMILESC/N=C(\C)C1=CC(C#N)=C(C)CC1
InChIInChI=1S/C11H14N2/c1-8-4-5-10(9(2)13-3)6-11(8)7-12/h6H,4-5H2,1-3H3/b13-9+
InChIKeyRIRRMRSRETVTIA-UKTHLTGXSA-N
XLogP2.64
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 20762110
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
(6Z)-6-ethylidene-N,2,5-trimethylcyclohexa-2,4-dien-1-imine
CID 68312163
1-N,2-N,3-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 89378852
N,3-dimethylcyclohex-2-en-1-imine
CID 90782444
2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile
CID 91110057
(3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine
CID 91367652
(E)-2-ethenyl-4-methyliminopent-2-enenitrile
CID 117783478
(Z)-2-methylidene-5-methyliminohex-3-enenitrile
CID 117783479
N-methyl-4-methylidenecyclohex-2-en-1-imine
CID 123668536
N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine
CID 123850819
(2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile
CID 123919888

Frequently Asked Questions

What is the IUPAC name of 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile?
The IUPAC name of 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile (CID 142562106) is 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile.
What is the SMILES notation for 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile?
The canonical SMILES for 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile is C/N=C(\C)C1=CC(C#N)=C(C)CC1.
What is the InChIKey of 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile?
The InChIKey is RIRRMRSRETVTIA-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-4-5-10(9(2)13-3)6-11(8)7-12/h6H,4-5H2,1-3H3/b13-9+.
What are the key properties of 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile?
5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile has a molecular weight of 174.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 142562106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).