(2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile

C10H15N — CID 146675962

IUPAC(2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile
SMILESCC1(C)CCC/C(=C/C#N)C1
InChIInChI=1S/C10H15N/c1-10(2)6-3-4-9(8-10)5-7-11/h5H,3-4,6,8H2,1-2H3/b9-5-
InChIKeyBWNVBWRRJJIHEK-UITAMQMPSA-N
MW149.24 g/mol
LogP3.04
Rot. Bonds

About (2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile

(2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile (PubChem CID 146675962) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile.

Molecular Properties

Compound Name(2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile
PubChem CID146675962
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile
SMILESCC1(C)CCC/C(=C/C#N)C1
InChIInChI=1S/C10H15N/c1-10(2)6-3-4-9(8-10)5-7-11/h5H,3-4,6,8H2,1-2H3/b9-5-
InChIKeyBWNVBWRRJJIHEK-UITAMQMPSA-N
XLogP3.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile?
The IUPAC name of (2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile (CID 146675962) is (2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile.
What is the SMILES notation for (2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile?
The canonical SMILES for (2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile is CC1(C)CCC/C(=C/C#N)C1.
What is the InChIKey of (2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile?
The InChIKey is BWNVBWRRJJIHEK-UITAMQMPSA-N. The full InChI is InChI=1S/C10H15N/c1-10(2)6-3-4-9(8-10)5-7-11/h5H,3-4,6,8H2,1-2H3/b9-5-.
What are the key properties of (2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile?
(2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile has a molecular weight of 149.24 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3,3-dimethylcyclohexylidene)acetonitrile is sourced from PubChem (CID 146675962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).