N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide

C8H12NOP — CID 58065573

IUPACN-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide
SMILESO=C(CCP)NC1=CC=CC1
InChIInChI=1S/C8H12NOP/c10-8(5-6-11)9-7-3-1-2-4-7/h1-3H,4-6,11H2,(H,9,10)
InChIKeyZOGNAUNLRJRUAJ-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.21
Rot. Bonds3

About N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide

N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide (PubChem CID 58065573) has the molecular formula C8H12NOP and a molecular weight of 169.16 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide
PubChem CID58065573
Molecular FormulaC8H12NOP
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC NameN-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide
SMILESO=C(CCP)NC1=CC=CC1
InChIInChI=1S/C8H12NOP/c10-8(5-6-11)9-7-3-1-2-4-7/h1-3H,4-6,11H2,(H,9,10)
InChIKeyZOGNAUNLRJRUAJ-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide?
The IUPAC name of N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide (CID 58065573) is N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide?
The canonical SMILES for N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide is O=C(CCP)NC1=CC=CC1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide?
The InChIKey is ZOGNAUNLRJRUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NOP/c10-8(5-6-11)9-7-3-1-2-4-7/h1-3H,4-6,11H2,(H,9,10).
What are the key properties of N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide?
N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide has a molecular weight of 169.16 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-yl-3-phosphanylpropanamide is sourced from PubChem (CID 58065573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).