(3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate

C9H14FN2O5P — CID 167046444

IUPAC(3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate
SMILESC=CCOP(=O)(F)N(N)C(=O)OC1CCC(=O)C1
InChIInChI=1S/C9H14FN2O5P/c1-2-5-16-18(10,15)12(11)9(14)17-8-4-3-7(13)6-8/h2,8H,1,3-6,11H2
InChIKeyYWSOPJWTYPACAN-UHFFFAOYSA-N
MW280.19 g/mol
LogP1.70
Rot. Bonds5

About (3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate

(3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate (PubChem CID 167046444) has the molecular formula C9H14FN2O5P and a molecular weight of 280.19 g/mol. Its IUPAC name is (3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate.

Molecular Properties

Compound Name(3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate
PubChem CID167046444
Molecular FormulaC9H14FN2O5P
Molecular Weight280.19 g/mol
Exact Mass280.06
IUPAC Name(3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate
SMILESC=CCOP(=O)(F)N(N)C(=O)OC1CCC(=O)C1
InChIInChI=1S/C9H14FN2O5P/c1-2-5-16-18(10,15)12(11)9(14)17-8-4-3-7(13)6-8/h2,8H,1,3-6,11H2
InChIKeyYWSOPJWTYPACAN-UHFFFAOYSA-N
XLogP1.70
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate 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 (3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate?
The IUPAC name of (3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate (CID 167046444) is (3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate.
What is the SMILES notation for (3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate?
The canonical SMILES for (3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate is C=CCOP(=O)(F)N(N)C(=O)OC1CCC(=O)C1.
What is the InChIKey of (3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate?
The InChIKey is YWSOPJWTYPACAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN2O5P/c1-2-5-16-18(10,15)12(11)9(14)17-8-4-3-7(13)6-8/h2,8H,1,3-6,11H2.
What are the key properties of (3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate?
(3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate has a molecular weight of 280.19 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate is sourced from PubChem (CID 167046444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).