N-[(3Z)-penta-1,3-dien-3-yl]ethanimine

C7H11N — CID 142118320

IUPACN-[(3Z)-penta-1,3-dien-3-yl]ethanimine
SMILESC=CC(=C/C)/N=C/C
InChIInChI=1S/C7H11N/c1-4-7(5-2)8-6-3/h4-6H,1H2,2-3H3/b7-5-,8-6+
InChIKeyPCTKRGYKZVCOCI-CGXWXWIYSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About N-[(3Z)-penta-1,3-dien-3-yl]ethanimine

N-[(3Z)-penta-1,3-dien-3-yl]ethanimine (PubChem CID 142118320) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-[(3Z)-penta-1,3-dien-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(3Z)-penta-1,3-dien-3-yl]ethanimine
PubChem CID142118320
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-[(3Z)-penta-1,3-dien-3-yl]ethanimine
SMILESC=CC(=C/C)/N=C/C
InChIInChI=1S/C7H11N/c1-4-7(5-2)8-6-3/h4-6H,1H2,2-3H3/b7-5-,8-6+
InChIKeyPCTKRGYKZVCOCI-CGXWXWIYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
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 N-[(3Z)-penta-1,3-dien-3-yl]ethanimine?
The IUPAC name of N-[(3Z)-penta-1,3-dien-3-yl]ethanimine (CID 142118320) is N-[(3Z)-penta-1,3-dien-3-yl]ethanimine.
What is the SMILES notation for N-[(3Z)-penta-1,3-dien-3-yl]ethanimine?
The canonical SMILES for N-[(3Z)-penta-1,3-dien-3-yl]ethanimine is C=CC(=C/C)/N=C/C.
What is the InChIKey of N-[(3Z)-penta-1,3-dien-3-yl]ethanimine?
The InChIKey is PCTKRGYKZVCOCI-CGXWXWIYSA-N. The full InChI is InChI=1S/C7H11N/c1-4-7(5-2)8-6-3/h4-6H,1H2,2-3H3/b7-5-,8-6+.
What are the key properties of N-[(3Z)-penta-1,3-dien-3-yl]ethanimine?
N-[(3Z)-penta-1,3-dien-3-yl]ethanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-penta-1,3-dien-3-yl]ethanimine is sourced from PubChem (CID 142118320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).