(2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile

C10H15N — CID 67064888

IUPAC(2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile
SMILESCC1CC(C)(C)C/C1=C\C#N
InChIInChI=1S/C10H15N/c1-8-6-10(2,3)7-9(8)4-5-11/h4,8H,6-7H2,1-3H3/b9-4+
InChIKeyCSISIDNSBDDZDK-RUDMXATFSA-N
MW149.24 g/mol
LogP2.89
Rot. Bonds

About (2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile

(2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile (PubChem CID 67064888) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile.

Molecular Properties

Compound Name(2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile
PubChem CID67064888
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile
SMILESCC1CC(C)(C)C/C1=C\C#N
InChIInChI=1S/C10H15N/c1-8-6-10(2,3)7-9(8)4-5-11/h4,8H,6-7H2,1-3H3/b9-4+
InChIKeyCSISIDNSBDDZDK-RUDMXATFSA-N
XLogP2.89
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 ≤ 52.89
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 (2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile?
The IUPAC name of (2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile (CID 67064888) is (2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile.
What is the SMILES notation for (2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile?
The canonical SMILES for (2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile is CC1CC(C)(C)C/C1=C\C#N.
What is the InChIKey of (2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile?
The InChIKey is CSISIDNSBDDZDK-RUDMXATFSA-N. The full InChI is InChI=1S/C10H15N/c1-8-6-10(2,3)7-9(8)4-5-11/h4,8H,6-7H2,1-3H3/b9-4+.
What are the key properties of (2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile?
(2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile has a molecular weight of 149.24 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile is sourced from PubChem (CID 67064888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).