5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile

C8H10N2 — CID 123175305

IUPAC5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile
SMILESCC1C(C#N)=CC=CC1N
InChIInChI=1S/C8H10N2/c1-6-7(5-9)3-2-4-8(6)10/h2-4,6,8H,10H2,1H3
InChIKeyXARXVWWLDUKYQA-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.97
Rot. Bonds

About 5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile

5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile (PubChem CID 123175305) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile
PubChem CID123175305
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile
SMILESCC1C(C#N)=CC=CC1N
InChIInChI=1S/C8H10N2/c1-6-7(5-9)3-2-4-8(6)10/h2-4,6,8H,10H2,1H3
InChIKeyXARXVWWLDUKYQA-UHFFFAOYSA-N
XLogP0.97
TPSA49.81 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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile (CID 123175305) is 5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile is CC1C(C#N)=CC=CC1N.
What is the InChIKey of 5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is XARXVWWLDUKYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-7(5-9)3-2-4-8(6)10/h2-4,6,8H,10H2,1H3.
What are the key properties of 5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile?
5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methylcyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 123175305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).