(1Z)-1-phosphanylbuta-1,3-dien-1-amine

C4H8NP — CID 100934666

IUPAC(1Z)-1-phosphanylbuta-1,3-dien-1-amine
SMILESC=C/C=C(/N)P
InChIInChI=1S/C4H8NP/c1-2-3-4(5)6/h2-3H,1,5-6H2/b4-3-
InChIKeyZWIVITUKLPGVPQ-ARJAWSKDSA-N
MW101.09 g/mol
LogP0.85
Rot. Bonds1

About (1Z)-1-phosphanylbuta-1,3-dien-1-amine

(1Z)-1-phosphanylbuta-1,3-dien-1-amine (PubChem CID 100934666) has the molecular formula C4H8NP and a molecular weight of 101.09 g/mol. Its IUPAC name is (1Z)-1-phosphanylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1-phosphanylbuta-1,3-dien-1-amine
PubChem CID100934666
Molecular FormulaC4H8NP
Molecular Weight101.09 g/mol
Exact Mass101.04
IUPAC Name(1Z)-1-phosphanylbuta-1,3-dien-1-amine
SMILESC=C/C=C(/N)P
InChIInChI=1S/C4H8NP/c1-2-3-4(5)6/h2-3H,1,5-6H2/b4-3-
InChIKeyZWIVITUKLPGVPQ-ARJAWSKDSA-N
XLogP0.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.09
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (1Z)-1-phosphanylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-1-phosphanylbuta-1,3-dien-1-amine (CID 100934666) is (1Z)-1-phosphanylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-1-phosphanylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-1-phosphanylbuta-1,3-dien-1-amine is C=C/C=C(/N)P.
What is the InChIKey of (1Z)-1-phosphanylbuta-1,3-dien-1-amine?
The InChIKey is ZWIVITUKLPGVPQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H8NP/c1-2-3-4(5)6/h2-3H,1,5-6H2/b4-3-.
What are the key properties of (1Z)-1-phosphanylbuta-1,3-dien-1-amine?
(1Z)-1-phosphanylbuta-1,3-dien-1-amine has a molecular weight of 101.09 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-phosphanylbuta-1,3-dien-1-amine is sourced from PubChem (CID 100934666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).