1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile

C10H11N — CID 134851421

IUPAC1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile
SMILESC=C1C(C)=CC=CC1(C)C#N
InChIInChI=1S/C10H11N/c1-8-5-4-6-10(3,7-11)9(8)2/h4-6H,2H2,1,3H3
InChIKeyFXQWLCHUQVWYOM-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.59
Rot. Bonds

About 1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile

1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile (PubChem CID 134851421) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile
PubChem CID134851421
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile
SMILESC=C1C(C)=CC=CC1(C)C#N
InChIInChI=1S/C10H11N/c1-8-5-4-6-10(3,7-11)9(8)2/h4-6H,2H2,1,3H3
InChIKeyFXQWLCHUQVWYOM-UHFFFAOYSA-N
XLogP2.59
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile (CID 134851421) is 1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile is C=C1C(C)=CC=CC1(C)C#N.
What is the InChIKey of 1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is FXQWLCHUQVWYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-5-4-6-10(3,7-11)9(8)2/h4-6H,2H2,1,3H3.
What are the key properties of 1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile?
1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 145.20 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-methylidenecyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 134851421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).