(2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine

C12H19N — CID 135132233

IUPAC(2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine
SMILESC/C=C\N=C1/CCC/C1=C\C(C)C
InChIInChI=1S/C12H19N/c1-4-8-13-12-7-5-6-11(12)9-10(2)3/h4,8-10H,5-7H2,1-3H3/b8-4-,11-9+,13-12+
InChIKeyAVKWYGIGVWOIEV-ICRDLZBWSA-N
MW177.29 g/mol
LogP3.73
Rot. Bonds2

About (2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine

(2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine (PubChem CID 135132233) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine.

Molecular Properties

Compound Name(2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine
PubChem CID135132233
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine
SMILESC/C=C\N=C1/CCC/C1=C\C(C)C
InChIInChI=1S/C12H19N/c1-4-8-13-12-7-5-6-11(12)9-10(2)3/h4,8-10H,5-7H2,1-3H3/b8-4-,11-9+,13-12+
InChIKeyAVKWYGIGVWOIEV-ICRDLZBWSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine?
The IUPAC name of (2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine (CID 135132233) is (2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine.
What is the SMILES notation for (2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine?
The canonical SMILES for (2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine is C/C=C\N=C1/CCC/C1=C\C(C)C.
What is the InChIKey of (2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine?
The InChIKey is AVKWYGIGVWOIEV-ICRDLZBWSA-N. The full InChI is InChI=1S/C12H19N/c1-4-8-13-12-7-5-6-11(12)9-10(2)3/h4,8-10H,5-7H2,1-3H3/b8-4-,11-9+,13-12+.
What are the key properties of (2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine?
(2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-methylpropylidene)-N-[(Z)-prop-1-enyl]cyclopentan-1-imine is sourced from PubChem (CID 135132233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).