(Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine

C9H13N — CID 91058923

IUPAC(Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine
SMILESC=C(/C=C\C)/N=C/C=C\C
InChIInChI=1S/C9H13N/c1-4-6-8-10-9(3)7-5-2/h4-8H,3H2,1-2H3/b6-4-,7-5-,10-8+
InChIKeyHWWGKZHPSVGUFU-HDFRMWMESA-N
MW135.21 g/mol
LogP2.72
Rot. Bonds3

About (Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine

(Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine (PubChem CID 91058923) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine
PubChem CID91058923
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine
SMILESC=C(/C=C\C)/N=C/C=C\C
InChIInChI=1S/C9H13N/c1-4-6-8-10-9(3)7-5-2/h4-8H,3H2,1-2H3/b6-4-,7-5-,10-8+
InChIKeyHWWGKZHPSVGUFU-HDFRMWMESA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.72
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 (Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine (CID 91058923) is (Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine is C=C(/C=C\C)/N=C/C=C\C.
What is the InChIKey of (Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine?
The InChIKey is HWWGKZHPSVGUFU-HDFRMWMESA-N. The full InChI is InChI=1S/C9H13N/c1-4-6-8-10-9(3)7-5-2/h4-8H,3H2,1-2H3/b6-4-,7-5-,10-8+.
What are the key properties of (Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine?
(Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3Z)-penta-1,3-dien-2-yl]but-2-en-1-imine is sourced from PubChem (CID 91058923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).