prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate

C16H15NO6 — CID 86290407

IUPACprop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate
SMILESC=CCOC(=O)NCCc1cc(=O)oc2c(C=O)c(O)ccc12
InChIInChI=1S/C16H15NO6/c1-2-7-22-16(21)17-6-5-10-8-14(20)23-15-11(10)3-4-13(19)12(15)9-18/h2-4,8-9,19H,1,5-7H2,(H,17,21)
InChIKeyWLPMEQDSXQEJIP-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.77
Rot. Bonds6

About prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate

prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate (PubChem CID 86290407) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate
PubChem CID86290407
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Nameprop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate
SMILESC=CCOC(=O)NCCc1cc(=O)oc2c(C=O)c(O)ccc12
InChIInChI=1S/C16H15NO6/c1-2-7-22-16(21)17-6-5-10-8-14(20)23-15-11(10)3-4-13(19)12(15)9-18/h2-4,8-9,19H,1,5-7H2,(H,17,21)
InChIKeyWLPMEQDSXQEJIP-UHFFFAOYSA-N
XLogP1.77
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]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 prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate (CID 86290407) is prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate is C=CCOC(=O)NCCc1cc(=O)oc2c(C=O)c(O)ccc12.
What is the InChIKey of prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate?
The InChIKey is WLPMEQDSXQEJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-2-7-22-16(21)17-6-5-10-8-14(20)23-15-11(10)3-4-13(19)12(15)9-18/h2-4,8-9,19H,1,5-7H2,(H,17,21).
What are the key properties of prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate?
prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate has a molecular weight of 317.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-(8-formyl-7-hydroxy-2-oxochromen-4-yl)ethyl]carbamate is sourced from PubChem (CID 86290407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).