N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide

C10H12N2 — CID 163789951

IUPACN,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide
SMILESC/N=C(\C#N)C1=CC=C(C)CC1
InChIInChI=1S/C10H12N2/c1-8-3-5-9(6-4-8)10(7-11)12-2/h3,5H,4,6H2,1-2H3/b12-10+
InChIKeyMVULLJVOEWCBRB-ZRDIBKRKSA-N
MW160.22 g/mol
LogP2.25
Rot. Bonds1

About N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide

N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide (PubChem CID 163789951) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide.

Molecular Properties

Compound NameN,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide
PubChem CID163789951
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide
SMILESC/N=C(\C#N)C1=CC=C(C)CC1
InChIInChI=1S/C10H12N2/c1-8-3-5-9(6-4-8)10(7-11)12-2/h3,5H,4,6H2,1-2H3/b12-10+
InChIKeyMVULLJVOEWCBRB-ZRDIBKRKSA-N
XLogP2.25
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide?
The IUPAC name of N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide (CID 163789951) is N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide.
What is the SMILES notation for N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide?
The canonical SMILES for N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide is C/N=C(\C#N)C1=CC=C(C)CC1.
What is the InChIKey of N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide?
The InChIKey is MVULLJVOEWCBRB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-3-5-9(6-4-8)10(7-11)12-2/h3,5H,4,6H2,1-2H3/b12-10+.
What are the key properties of N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide?
N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide has a molecular weight of 160.22 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylcyclohexa-1,3-diene-1-carboximidoyl cyanide is sourced from PubChem (CID 163789951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).