(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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Related Compounds

(2E)-2-(3,3-dimethylcyclohexylidene)acetic acid
CID 6428755
2-cyclopropylideneacetonitrile
CID 18983445
6,6-dimethyl-1,2,3,4,5,7,8,9-octahydrobenzo[7]annulene;ethane
CID 142014547
(2E)-2-[(2R)-2-methyl-2-propan-2-ylcyclopentylidene]acetonitrile
CID 135009162
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]acetonitrile
CID 68733627
2-(phosphinan-3-ylidene)acetonitrile
CID 175061441
(2Z)-2-(oxepan-4-ylidene)acetonitrile
CID 65081143
1,1-dimethyl-3-methylidenecyclohexane;ethane
CID 91238646
4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene
CID 175928717
2-piperidin-4-ylideneacetonitrile;dihydrochloride
CID 166108387
(2Z)-2-(1,7-dioxaspiro[5.5]undecan-3-ylidene)acetonitrile
CID 11137995
3,3-dimethylcycloheptan-1-one
CID 12702041

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).