1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine

C13H17N — CID 126661394

IUPAC1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
SMILESC=C(C)C(=C/C)/N=C(\C)C1=CC=CC1
InChIInChI=1S/C13H17N/c1-5-13(10(2)3)14-11(4)12-8-6-7-9-12/h5-8H,2,9H2,1,3-4H3/b13-5-,14-11+
InChIKeyITRVTMJCTJTEBU-JOVOQDLISA-N
MW187.29 g/mol
LogP3.81
Rot. Bonds3

About 1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine

1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine (PubChem CID 126661394) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
PubChem CID126661394
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
SMILESC=C(C)C(=C/C)/N=C(\C)C1=CC=CC1
InChIInChI=1S/C13H17N/c1-5-13(10(2)3)14-11(4)12-8-6-7-9-12/h5-8H,2,9H2,1,3-4H3/b13-5-,14-11+
InChIKeyITRVTMJCTJTEBU-JOVOQDLISA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine (CID 126661394) is 1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine is C=C(C)C(=C/C)/N=C(\C)C1=CC=CC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine?
The InChIKey is ITRVTMJCTJTEBU-JOVOQDLISA-N. The full InChI is InChI=1S/C13H17N/c1-5-13(10(2)3)14-11(4)12-8-6-7-9-12/h5-8H,2,9H2,1,3-4H3/b13-5-,14-11+.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine?
1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine has a molecular weight of 187.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine is sourced from PubChem (CID 126661394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).