2H-chromene-3-carboxamide

C10H9NO2 — CID 25032

IUPAC2H-chromene-3-carboxamide
SMILESNC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12)
InChIKeyUVEVMKODWDQIAN-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.95
Rot. Bonds1

About 2H-chromene-3-carboxamide

2H-chromene-3-carboxamide (PubChem CID 25032) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2H-chromene-3-carboxamide.

Molecular Properties

Compound Name2H-chromene-3-carboxamide
PubChem CID25032
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2H-chromene-3-carboxamide
SMILESNC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12)
InChIKeyUVEVMKODWDQIAN-UHFFFAOYSA-N
XLogP0.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-chromene-3-carboxamide?
The IUPAC name of 2H-chromene-3-carboxamide (CID 25032) is 2H-chromene-3-carboxamide.
What is the SMILES notation for 2H-chromene-3-carboxamide?
The canonical SMILES for 2H-chromene-3-carboxamide is NC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of 2H-chromene-3-carboxamide?
The InChIKey is UVEVMKODWDQIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12).
What are the key properties of 2H-chromene-3-carboxamide?
2H-chromene-3-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene-3-carboxamide is sourced from PubChem (CID 25032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).