N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide

C19H16N2O3 — CID 781375

IUPACN-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)NC3=C(C#N)CCC3)c(=O)oc12
InChIInChI=1S/C19H16N2O3/c1-2-5-12-6-3-7-13-10-15(19(23)24-17(12)13)18(22)21-16-9-4-8-14(16)11-20/h2-3,6-7,10H,1,4-5,8-9H2,(H,21,22)
InChIKeyLCGCHLZGCALEQF-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.21
Rot. Bonds4

About N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide

N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide (PubChem CID 781375) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
PubChem CID781375
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)NC3=C(C#N)CCC3)c(=O)oc12
InChIInChI=1S/C19H16N2O3/c1-2-5-12-6-3-7-13-10-15(19(23)24-17(12)13)18(22)21-16-9-4-8-14(16)11-20/h2-3,6-7,10H,1,4-5,8-9H2,(H,21,22)
InChIKeyLCGCHLZGCALEQF-UHFFFAOYSA-N
XLogP3.21
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide 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-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The IUPAC name of N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide (CID 781375) is N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The canonical SMILES for N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide is C=CCc1cccc2cc(C(=O)NC3=C(C#N)CCC3)c(=O)oc12.
What is the InChIKey of N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The InChIKey is LCGCHLZGCALEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-2-5-12-6-3-7-13-10-15(19(23)24-17(12)13)18(22)21-16-9-4-8-14(16)11-20/h2-3,6-7,10H,1,4-5,8-9H2,(H,21,22).
What are the key properties of N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopenten-1-yl)-2-oxo-8-prop-2-enylchromene-3-carboxamide is sourced from PubChem (CID 781375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).