(2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate

C19H15NO4 — CID 11723581

IUPAC(2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate
SMILESC=CCc1c(OC(=O)Nc2ccccc2)ccc2ccc(=O)oc12
InChIInChI=1S/C19H15NO4/c1-2-6-15-16(11-9-13-10-12-17(21)24-18(13)15)23-19(22)20-14-7-4-3-5-8-14/h2-5,7-12H,1,6H2,(H,20,22)
InChIKeyIATXHOGCUCWLLU-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.13
Rot. Bonds4

About (2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate

(2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate (PubChem CID 11723581) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is (2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate
PubChem CID11723581
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name(2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate
SMILESC=CCc1c(OC(=O)Nc2ccccc2)ccc2ccc(=O)oc12
InChIInChI=1S/C19H15NO4/c1-2-6-15-16(11-9-13-10-12-17(21)24-18(13)15)23-19(22)20-14-7-4-3-5-8-14/h2-5,7-12H,1,6H2,(H,20,22)
InChIKeyIATXHOGCUCWLLU-UHFFFAOYSA-N
XLogP4.13
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.13
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'}

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Related Compounds

6-methyl-2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 10423722
7-Hydroxy-2-oxo-N-phenyl-2H-1-benzopyran-3-carboxamide
CID 5400404
6-methyl-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 24860446
6-methyl-N-(4-methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 24860447
3-Carboxamido coumarin, 32
CID 781371
7-Hydroxy-4-[(2-methoxyanilino)methyl]-8-methylchromen-2-one
CID 9345359
(2E)-3-(4-methoxyphenyl)-N-(2-oxo-2H-chromen-6-yl)prop-2-enamide
CID 16649050
6-hexyl-7-hydroxy-N-(3-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 5597667
4-[3-[4-(Dimethylamino)phenyl]phenyl]-5,7-dimethoxychromen-2-one
CID 6540227
N-(2-ethoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 888665
N-(3,5-dimethylphenyl)-6-methyl-2-oxo-2H-chromene-3-carboxamide
CID 24860448
3-Carboxamido coumarin, 44
CID 42618010

Frequently Asked Questions

What is the IUPAC name of (2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate?
The IUPAC name of (2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate (CID 11723581) is (2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate.
What is the SMILES notation for (2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate?
The canonical SMILES for (2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate is C=CCc1c(OC(=O)Nc2ccccc2)ccc2ccc(=O)oc12.
What is the InChIKey of (2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate?
The InChIKey is IATXHOGCUCWLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-2-6-15-16(11-9-13-10-12-17(21)24-18(13)15)23-19(22)20-14-7-4-3-5-8-14/h2-5,7-12H,1,6H2,(H,20,22).
What are the key properties of (2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate?
(2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate has a molecular weight of 321.33 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-8-prop-2-enylchromen-7-yl) N-phenylcarbamate is sourced from PubChem (CID 11723581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).