(2-oxochromen-6-yl)carbamic acid

C10H7NO4 — CID 18427920

IUPAC(2-oxochromen-6-yl)carbamic acid
SMILESO=C(O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C10H7NO4/c12-9-4-1-6-5-7(11-10(13)14)2-3-8(6)15-9/h1-5,11H,(H,13,14)
InChIKeySZLWFCWAQLSYIW-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.88
Rot. Bonds1

About (2-oxochromen-6-yl)carbamic acid

(2-oxochromen-6-yl)carbamic acid (PubChem CID 18427920) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2-oxochromen-6-yl)carbamic acid.

Molecular Properties

Compound Name(2-oxochromen-6-yl)carbamic acid
PubChem CID18427920
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name(2-oxochromen-6-yl)carbamic acid
SMILESO=C(O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C10H7NO4/c12-9-4-1-6-5-7(11-10(13)14)2-3-8(6)15-9/h1-5,11H,(H,13,14)
InChIKeySZLWFCWAQLSYIW-UHFFFAOYSA-N
XLogP1.88
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea
CID 99832234
2-iodo-3-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978567
2-methyl-N-(2-oxochromen-6-yl)butanamide
CID 47294321
2-chloro-N-(2-oxochromen-6-yl)benzamide
CID 965741
trans-(1R,3R)-2,2-dimethyl-3-[(2-oxochromen-6-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 95389345
2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide
CID 3978190
N-(2-oxochromen-6-yl)-3-phenylsulfanylpropanamide
CID 55977915
2-[bis[2-[carboxymethyl-[2-oxo-2-[(2-oxochromen-6-yl)amino]ethyl]amino]ethyl]amino]acetic acid
CID 102234883
N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
CID 86581290
2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride
CID 139945933
1-(2-bromoprop-2-enyl)-3-(2-oxochromen-6-yl)urea
CID 47440425
2-methyl-N-[(2-oxochromen-6-yl)carbamothioyl]propanamide
CID 953736

Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-6-yl)carbamic acid?
The IUPAC name of (2-oxochromen-6-yl)carbamic acid (CID 18427920) is (2-oxochromen-6-yl)carbamic acid.
What is the SMILES notation for (2-oxochromen-6-yl)carbamic acid?
The canonical SMILES for (2-oxochromen-6-yl)carbamic acid is O=C(O)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of (2-oxochromen-6-yl)carbamic acid?
The InChIKey is SZLWFCWAQLSYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-9-4-1-6-5-7(11-10(13)14)2-3-8(6)15-9/h1-5,11H,(H,13,14).
What are the key properties of (2-oxochromen-6-yl)carbamic acid?
(2-oxochromen-6-yl)carbamic acid has a molecular weight of 205.17 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-6-yl)carbamic acid is sourced from PubChem (CID 18427920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).