(1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide

C11H14N2 — CID 89330901

IUPAC(1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide
SMILESC/N=C(\C#N)[C@H]1C=CC=CC(C)C1
InChIInChI=1S/C11H14N2/c1-9-5-3-4-6-10(7-9)11(8-12)13-2/h3-6,9-10H,7H2,1-2H3/b13-11+/t9?,10-/m0/s1
InChIKeyWSMVFZBMOIODTG-KDHDJBLNSA-N
MW174.25 g/mol
LogP2.35
Rot. Bonds1

About (1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide

(1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide (PubChem CID 89330901) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide.

Molecular Properties

Compound Name(1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide
PubChem CID89330901
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide
SMILESC/N=C(\C#N)[C@H]1C=CC=CC(C)C1
InChIInChI=1S/C11H14N2/c1-9-5-3-4-6-10(7-9)11(8-12)13-2/h3-6,9-10H,7H2,1-2H3/b13-11+/t9?,10-/m0/s1
InChIKeyWSMVFZBMOIODTG-KDHDJBLNSA-N
XLogP2.35
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 ≤ 52.35
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

6-Ethyl-7-iminocyclohepta-1,3-diene-1-carbonitrile
CID 123274492
1-cyclohexa-2,4-dien-1-yl-N-methylpropan-1-imine
CID 144032757
3-Methyl-7-methylidene-3,4-dihydroazepine-2-carbonitrile
CID 163482766
(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide
CID 172587844

Frequently Asked Questions

What is the IUPAC name of (1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide?
The IUPAC name of (1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide (CID 89330901) is (1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide.
What is the SMILES notation for (1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide?
The canonical SMILES for (1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide is C/N=C(\C#N)[C@H]1C=CC=CC(C)C1.
What is the InChIKey of (1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide?
The InChIKey is WSMVFZBMOIODTG-KDHDJBLNSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-5-3-4-6-10(7-9)11(8-12)13-2/h3-6,9-10H,7H2,1-2H3/b13-11+/t9?,10-/m0/s1.
What are the key properties of (1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide?
(1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide has a molecular weight of 174.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,6-dimethylcyclohepta-2,4-diene-1-carboximidoyl cyanide is sourced from PubChem (CID 89330901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).