(2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine

C7H12NP — CID 155484713

IUPAC(2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine
SMILESC/N=C/C=C(C)\C=C\P
InChIInChI=1S/C7H12NP/c1-7(4-6-9)3-5-8-2/h3-6H,9H2,1-2H3/b6-4+,7-3-,8-5+
InChIKeyHPSCTYIUCIXEGX-HZCKPSDASA-N
MW141.15 g/mol
LogP2.02
Rot. Bonds2

About (2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine

(2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine (PubChem CID 155484713) has the molecular formula C7H12NP and a molecular weight of 141.15 g/mol. Its IUPAC name is (2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine
PubChem CID155484713
Molecular FormulaC7H12NP
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name(2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine
SMILESC/N=C/C=C(C)\C=C\P
InChIInChI=1S/C7H12NP/c1-7(4-6-9)3-5-8-2/h3-6H,9H2,1-2H3/b6-4+,7-3-,8-5+
InChIKeyHPSCTYIUCIXEGX-HZCKPSDASA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine (CID 155484713) is (2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine is C/N=C/C=C(C)\C=C\P.
What is the InChIKey of (2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine?
The InChIKey is HPSCTYIUCIXEGX-HZCKPSDASA-N. The full InChI is InChI=1S/C7H12NP/c1-7(4-6-9)3-5-8-2/h3-6H,9H2,1-2H3/b6-4+,7-3-,8-5+.
What are the key properties of (2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine?
(2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine has a molecular weight of 141.15 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N,3-dimethyl-5-phosphanylpenta-2,4-dien-1-imine is sourced from PubChem (CID 155484713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).