(3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine

C9H13N — CID 173488054

IUPAC(3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine
SMILES[H]/N=C/C(=CC)/C=C\C=C/C
InChIInChI=1S/C9H13N/c1-3-5-6-7-9(4-2)8-10/h3-8,10H,1-2H3/b5-3-,7-6-,9-4?,10-8+
InChIKeyPILLJZAPRBOWPX-KQKSNNCCSA-N
MW135.21 g/mol
LogP2.71
Rot. Bonds3

About (3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine

(3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine (PubChem CID 173488054) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine
PubChem CID173488054
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine
SMILES[H]/N=C/C(=CC)/C=C\C=C/C
InChIInChI=1S/C9H13N/c1-3-5-6-7-9(4-2)8-10/h3-8,10H,1-2H3/b5-3-,7-6-,9-4?,10-8+
InChIKeyPILLJZAPRBOWPX-KQKSNNCCSA-N
XLogP2.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
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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Related Compounds

(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
(2Z)-2,3-di(ethylidene)hex-4-en-1-imine
CID 123621757
hexa-2,4-dien-1-imine
CID 86115777
(Z)-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]but-2-en-1-imine
CID 88964336
ethane;(2Z,4E)-hexa-2,4-dien-1-imine
CID 143495336
(3E,5Z)-1-imino-3-methanimidoylhepta-3,5-dien-2-one
CID 156556155
(4E)-hexa-2,4-diene
CID 22435466
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578
3-ethenylhepta-3,5-diene-1,2-diimine
CID 123395606
(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
CID 134286835
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine?
The IUPAC name of (3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine (CID 173488054) is (3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine.
What is the SMILES notation for (3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine?
The canonical SMILES for (3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine is [H]/N=C/C(=CC)/C=C\C=C/C.
What is the InChIKey of (3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine?
The InChIKey is PILLJZAPRBOWPX-KQKSNNCCSA-N. The full InChI is InChI=1S/C9H13N/c1-3-5-6-7-9(4-2)8-10/h3-8,10H,1-2H3/b5-3-,7-6-,9-4?,10-8+.
What are the key properties of (3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine?
(3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine is sourced from PubChem (CID 173488054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).