1-oxo-N-propylisochromene-3-carboxamide

C13H13NO3 — CID 5163330

IUPAC1-oxo-N-propylisochromene-3-carboxamide
SMILESCCCNC(=O)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C13H13NO3/c1-2-7-14-12(15)11-8-9-5-3-4-6-10(9)13(16)17-11/h3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyPHZLPPXHFATYTA-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.93
Rot. Bonds3

About 1-oxo-N-propylisochromene-3-carboxamide

1-oxo-N-propylisochromene-3-carboxamide (PubChem CID 5163330) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-oxo-N-propylisochromene-3-carboxamide.

Molecular Properties

Compound Name1-oxo-N-propylisochromene-3-carboxamide
PubChem CID5163330
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-oxo-N-propylisochromene-3-carboxamide
SMILESCCCNC(=O)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C13H13NO3/c1-2-7-14-12(15)11-8-9-5-3-4-6-10(9)13(16)17-11/h3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyPHZLPPXHFATYTA-UHFFFAOYSA-N
XLogP1.93
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-propylisochromene-3-carboxamide?
The IUPAC name of 1-oxo-N-propylisochromene-3-carboxamide (CID 5163330) is 1-oxo-N-propylisochromene-3-carboxamide.
What is the SMILES notation for 1-oxo-N-propylisochromene-3-carboxamide?
The canonical SMILES for 1-oxo-N-propylisochromene-3-carboxamide is CCCNC(=O)c1cc2ccccc2c(=O)o1.
What is the InChIKey of 1-oxo-N-propylisochromene-3-carboxamide?
The InChIKey is PHZLPPXHFATYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-7-14-12(15)11-8-9-5-3-4-6-10(9)13(16)17-11/h3-6,8H,2,7H2,1H3,(H,14,15).
What are the key properties of 1-oxo-N-propylisochromene-3-carboxamide?
1-oxo-N-propylisochromene-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-propylisochromene-3-carboxamide is sourced from PubChem (CID 5163330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).