1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine

C11H15N — CID 144586453

IUPAC1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C(/C)C1=C(C)CC=C1
InChIInChI=1S/C11H15N/c1-4-8-12-10(3)11-7-5-6-9(11)2/h4-5,7-8H,6H2,1-3H3/b8-4-,12-10+
InChIKeyKFCJOUUCGASNQC-DIXMKNLJSA-N
MW161.25 g/mol
LogP3.26
Rot. Bonds2

About 1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine

1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine (PubChem CID 144586453) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine.

Molecular Properties

Compound Name1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
PubChem CID144586453
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C(/C)C1=C(C)CC=C1
InChIInChI=1S/C11H15N/c1-4-8-12-10(3)11-7-5-6-9(11)2/h4-5,7-8H,6H2,1-3H3/b8-4-,12-10+
InChIKeyKFCJOUUCGASNQC-DIXMKNLJSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[(E)-prop-1-enyl]ethanimine
CID 13099167
1-(3-methylphenyl)-N-[(E)-prop-1-enyl]ethanimine
CID 13143516
N-[(Z)-prop-1-enyl]-1-pyridin-4-ylethanimine
CID 91982748
1-(cyclohexen-1-yl)-N-[(E)-prop-1-enyl]ethanimine
CID 13143551
1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 144796412
N-[(2E,4Z,7Z)-5-methyl-3-(2-methylcyclohepta-1,4,6-trien-1-yl)-6-methylidenenona-2,4,7-trien-4-yl]methanimine
CID 146608402
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032
sodium;1,2-dimethylcyclopenta-1,3-diene;hydride
CID 173341560
trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium
CID 170257532
1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene
CID 54440744

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine?
The IUPAC name of 1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine (CID 144586453) is 1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine.
What is the SMILES notation for 1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine?
The canonical SMILES for 1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine is C/C=C\N=C(/C)C1=C(C)CC=C1.
What is the InChIKey of 1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine?
The InChIKey is KFCJOUUCGASNQC-DIXMKNLJSA-N. The full InChI is InChI=1S/C11H15N/c1-4-8-12-10(3)11-7-5-6-9(11)2/h4-5,7-8H,6H2,1-3H3/b8-4-,12-10+.
What are the key properties of 1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine?
1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine has a molecular weight of 161.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine is sourced from PubChem (CID 144586453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).