benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate

C17H13NO5 — CID 10733792

IUPACbenzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate
SMILESO=C(Nc1cc2ccc(O)cc2oc1=O)OCc1ccccc1
InChIInChI=1S/C17H13NO5/c19-13-7-6-12-8-14(16(20)23-15(12)9-13)18-17(21)22-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H,18,21)
InChIKeyCAZYPTBBJDZYAF-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.25
Rot. Bonds3

About benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate

benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate (PubChem CID 10733792) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate
PubChem CID10733792
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Namebenzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate
SMILESO=C(Nc1cc2ccc(O)cc2oc1=O)OCc1ccccc1
InChIInChI=1S/C17H13NO5/c19-13-7-6-12-8-14(16(20)23-15(12)9-13)18-17(21)22-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H,18,21)
InChIKeyCAZYPTBBJDZYAF-UHFFFAOYSA-N
XLogP3.25
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 7-hydroxy-2-oxochromene-3-carboxylate
CID 101425420
benzyl N-[7-[2-(dimethylamino)ethoxy]-8-methyl-2-oxochromen-3-yl]carbamate
CID 87265987
ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate
CID 10596732
[6-methoxy-8-methyl-2-oxo-3-(phenylmethoxycarbonylamino)chromen-7-yl] acetate
CID 53261523
benzyl N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]carbamate
CID 53260576
2-(7-hydroxy-2-oxochromen-3-yl)acetic acid
CID 22167456
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776
benzyl N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]carbamate
CID 118343797

Frequently Asked Questions

What is the IUPAC name of benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate?
The IUPAC name of benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate (CID 10733792) is benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate.
What is the SMILES notation for benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate?
The canonical SMILES for benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate is O=C(Nc1cc2ccc(O)cc2oc1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate?
The InChIKey is CAZYPTBBJDZYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5/c19-13-7-6-12-8-14(16(20)23-15(12)9-13)18-17(21)22-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H,18,21).
What are the key properties of benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate?
benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate has a molecular weight of 311.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate is sourced from PubChem (CID 10733792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).