2-phosphanylcyclopenta-1,4-dien-1-amine

C5H8NP — CID 19089547

IUPAC2-phosphanylcyclopenta-1,4-dien-1-amine
SMILESNC1=C(P)CC=C1
InChIInChI=1S/C5H8NP/c6-4-2-1-3-5(4)7/h1-2H,3,6-7H2
InChIKeyULKFVIZVAMUASN-UHFFFAOYSA-N
MW113.10 g/mol
LogP0.99
Rot. Bonds

About 2-phosphanylcyclopenta-1,4-dien-1-amine

2-phosphanylcyclopenta-1,4-dien-1-amine (PubChem CID 19089547) has the molecular formula C5H8NP and a molecular weight of 113.10 g/mol. Its IUPAC name is 2-phosphanylcyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound Name2-phosphanylcyclopenta-1,4-dien-1-amine
PubChem CID19089547
Molecular FormulaC5H8NP
Molecular Weight113.10 g/mol
Exact Mass113.04
IUPAC Name2-phosphanylcyclopenta-1,4-dien-1-amine
SMILESNC1=C(P)CC=C1
InChIInChI=1S/C5H8NP/c6-4-2-1-3-5(4)7/h1-2H,3,6-7H2
InChIKeyULKFVIZVAMUASN-UHFFFAOYSA-N
XLogP0.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.10
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phosphanylcyclopenta-1,4-dien-1-amine?
The IUPAC name of 2-phosphanylcyclopenta-1,4-dien-1-amine (CID 19089547) is 2-phosphanylcyclopenta-1,4-dien-1-amine.
What is the SMILES notation for 2-phosphanylcyclopenta-1,4-dien-1-amine?
The canonical SMILES for 2-phosphanylcyclopenta-1,4-dien-1-amine is NC1=C(P)CC=C1.
What is the InChIKey of 2-phosphanylcyclopenta-1,4-dien-1-amine?
The InChIKey is ULKFVIZVAMUASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NP/c6-4-2-1-3-5(4)7/h1-2H,3,6-7H2.
What are the key properties of 2-phosphanylcyclopenta-1,4-dien-1-amine?
2-phosphanylcyclopenta-1,4-dien-1-amine has a molecular weight of 113.10 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanylcyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 19089547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).