N-carbamoyl-2-oxochromene-3-carboxamide

C11H8N2O4 — CID 849924

IUPACN-carbamoyl-2-oxochromene-3-carboxamide
SMILESNC(=O)NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C11H8N2O4/c12-11(16)13-9(14)7-5-6-3-1-2-4-8(6)17-10(7)15/h1-5H,(H3,12,13,14,16)
InChIKeyLPFVRLBVIJOWBJ-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.60
Rot. Bonds1

About N-carbamoyl-2-oxochromene-3-carboxamide

N-carbamoyl-2-oxochromene-3-carboxamide (PubChem CID 849924) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is N-carbamoyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-2-oxochromene-3-carboxamide
PubChem CID849924
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC NameN-carbamoyl-2-oxochromene-3-carboxamide
SMILESNC(=O)NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C11H8N2O4/c12-11(16)13-9(14)7-5-6-3-1-2-4-8(6)17-10(7)15/h1-5H,(H3,12,13,14,16)
InChIKeyLPFVRLBVIJOWBJ-UHFFFAOYSA-N
XLogP0.60
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
2-oxochromene-3-carboxylic acid
CID 161011590
N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide
CID 18284060
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide
CID 599281
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-[(4-bromophenyl)carbamothioyl]-2-oxochromene-3-carboxamide
CID 2333906

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-carbamoyl-2-oxochromene-3-carboxamide (CID 849924) is N-carbamoyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-carbamoyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-carbamoyl-2-oxochromene-3-carboxamide is NC(=O)NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-carbamoyl-2-oxochromene-3-carboxamide?
The InChIKey is LPFVRLBVIJOWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c12-11(16)13-9(14)7-5-6-3-1-2-4-8(6)17-10(7)15/h1-5H,(H3,12,13,14,16).
What are the key properties of N-carbamoyl-2-oxochromene-3-carboxamide?
N-carbamoyl-2-oxochromene-3-carboxamide has a molecular weight of 232.20 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 849924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).