1-methyl-3H-benzo[f]chromene-2-carboxamide

C15H13NO2 — CID 163777104

IUPAC1-methyl-3H-benzo[f]chromene-2-carboxamide
SMILESCC1=C(C(N)=O)COc2ccc3ccccc3c21
InChIInChI=1S/C15H13NO2/c1-9-12(15(16)17)8-18-13-7-6-10-4-2-3-5-11(10)14(9)13/h2-7H,8H2,1H3,(H2,16,17)
InChIKeyMLKMROSDPNOLDS-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.49
Rot. Bonds1

About 1-methyl-3H-benzo[f]chromene-2-carboxamide

1-methyl-3H-benzo[f]chromene-2-carboxamide (PubChem CID 163777104) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-methyl-3H-benzo[f]chromene-2-carboxamide.

Molecular Properties

Compound Name1-methyl-3H-benzo[f]chromene-2-carboxamide
PubChem CID163777104
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-methyl-3H-benzo[f]chromene-2-carboxamide
SMILESCC1=C(C(N)=O)COc2ccc3ccccc3c21
InChIInChI=1S/C15H13NO2/c1-9-12(15(16)17)8-18-13-7-6-10-4-2-3-5-11(10)14(9)13/h2-7H,8H2,1H3,(H2,16,17)
InChIKeyMLKMROSDPNOLDS-UHFFFAOYSA-N
XLogP2.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3H-benzo[f]chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3H-benzo[f]chromene-2-carboxamide?
The IUPAC name of 1-methyl-3H-benzo[f]chromene-2-carboxamide (CID 163777104) is 1-methyl-3H-benzo[f]chromene-2-carboxamide.
What is the SMILES notation for 1-methyl-3H-benzo[f]chromene-2-carboxamide?
The canonical SMILES for 1-methyl-3H-benzo[f]chromene-2-carboxamide is CC1=C(C(N)=O)COc2ccc3ccccc3c21.
What is the InChIKey of 1-methyl-3H-benzo[f]chromene-2-carboxamide?
The InChIKey is MLKMROSDPNOLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-9-12(15(16)17)8-18-13-7-6-10-4-2-3-5-11(10)14(9)13/h2-7H,8H2,1H3,(H2,16,17).
What are the key properties of 1-methyl-3H-benzo[f]chromene-2-carboxamide?
1-methyl-3H-benzo[f]chromene-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3H-benzo[f]chromene-2-carboxamide is sourced from PubChem (CID 163777104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).