1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide

C16H15NO3 — CID 752962

IUPAC1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C16H15NO3/c1-3-9-17(10-4-2)15(18)14-11-12-7-5-6-8-13(12)16(19)20-14/h3-8,11H,1-2,9-10H2
InChIKeyVLWDRVWFSQXROZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.61
Rot. Bonds5

About 1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide

1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide (PubChem CID 752962) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide.

Molecular Properties

Compound Name1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide
PubChem CID752962
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C16H15NO3/c1-3-9-17(10-4-2)15(18)14-11-12-7-5-6-8-13(12)16(19)20-14/h3-8,11H,1-2,9-10H2
InChIKeyVLWDRVWFSQXROZ-UHFFFAOYSA-N
XLogP2.61
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate
CID 2347986
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate
CID 4550282
N,N-dibutyl-1-oxo-1H-isochromene-3-carboxamide
CID 1742617
3-(morpholin-4-ylcarbonyl)-4-phenyl-1H-isochromen-1-one
CID 3243262
3-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-1H-isochromen-1-one
CID 3243372
N-benzyl-N-butyl-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide
CID 15990734
(3Z)-3-(2-morpholin-4-yl-2-oxoethylidene)-2-benzofuran-1-one
CID 704570
(2-Morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate
CID 2333953
N-isopropyl-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide
CID 4660203
3-(4-Ethylpiperazine-1-carbonyl)-4-(4-methylphenyl)isochromen-1-one
CID 5308733
Ethyl 4-[4-(4-methylphenyl)-1-oxoisochromene-3-carbonyl]piperazine-1-carboxylate
CID 5308894
3-(4-Cyclohexylpiperazine-1-carbonyl)-4-phenyl-1H-isochromen-1-one
CID 5309061

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide?
The IUPAC name of 1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide (CID 752962) is 1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide.
What is the SMILES notation for 1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide?
The canonical SMILES for 1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide is C=CCN(CC=C)C(=O)c1cc2ccccc2c(=O)o1.
What is the InChIKey of 1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide?
The InChIKey is VLWDRVWFSQXROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-3-9-17(10-4-2)15(18)14-11-12-7-5-6-8-13(12)16(19)20-14/h3-8,11H,1-2,9-10H2.
What are the key properties of 1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide?
1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N,N-bis(prop-2-enyl)isochromene-3-carboxamide is sourced from PubChem (CID 752962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).