1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide

C16H15NO3 — CID 3073399

IUPAC1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1coc(=O)c2ccccc12
InChIInChI=1S/C16H15NO3/c1-3-9-17(10-4-2)15(18)14-11-20-16(19)13-8-6-5-7-12(13)14/h3-8,11H,1-2,9-10H2
InChIKeyLXGVTJPNTMTBHX-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.61
Rot. Bonds5

About 1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide

1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide (PubChem CID 3073399) 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-4-carboxamide.

Molecular Properties

Compound Name1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide
PubChem CID3073399
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1coc(=O)c2ccccc12
InChIInChI=1S/C16H15NO3/c1-3-9-17(10-4-2)15(18)14-11-20-16(19)13-8-6-5-7-12(13)14/h3-8,11H,1-2,9-10H2
InChIKeyLXGVTJPNTMTBHX-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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Frequently Asked Questions

What is the IUPAC name of 1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide?
The IUPAC name of 1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide (CID 3073399) is 1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide.
What is the SMILES notation for 1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide?
The canonical SMILES for 1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide is C=CCN(CC=C)C(=O)c1coc(=O)c2ccccc12.
What is the InChIKey of 1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide?
The InChIKey is LXGVTJPNTMTBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-3-9-17(10-4-2)15(18)14-11-20-16(19)13-8-6-5-7-12(13)14/h3-8,11H,1-2,9-10H2.
What are the key properties of 1-oxo-N,N-bis(prop-2-enyl)isochromene-4-carboxamide?
1-oxo-N,N-bis(prop-2-enyl)isochromene-4-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-4-carboxamide is sourced from PubChem (CID 3073399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).