(Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine

C11H13N — CID 139552252

IUPAC(Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine
SMILESCCC1=C(/C=C\C=N\C)C=C=C1
InChIInChI=1S/C11H13N/c1-3-10-6-4-7-11(10)8-5-9-12-2/h5-9H,3H2,1-2H3/b8-5-,12-9+
InChIKeyCCRWMUFHVVDOLT-JWAJRPJHSA-N
MW159.23 g/mol
LogP2.67
Rot. Bonds3

About (Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine

(Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine (PubChem CID 139552252) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine
PubChem CID139552252
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine
SMILESCCC1=C(/C=C\C=N\C)C=C=C1
InChIInChI=1S/C11H13N/c1-3-10-6-4-7-11(10)8-5-9-12-2/h5-9H,3H2,1-2H3/b8-5-,12-9+
InChIKeyCCRWMUFHVVDOLT-JWAJRPJHSA-N
XLogP2.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine?
The IUPAC name of (Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine (CID 139552252) is (Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine.
What is the SMILES notation for (Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine?
The canonical SMILES for (Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine is CCC1=C(/C=C\C=N\C)C=C=C1.
What is the InChIKey of (Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine?
The InChIKey is CCRWMUFHVVDOLT-JWAJRPJHSA-N. The full InChI is InChI=1S/C11H13N/c1-3-10-6-4-7-11(10)8-5-9-12-2/h5-9H,3H2,1-2H3/b8-5-,12-9+.
What are the key properties of (Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine?
(Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine has a molecular weight of 159.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine is sourced from PubChem (CID 139552252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).