3,4-dihydro-2H-chromene-2-carboxamide

C10H11NO2 — CID 18621312

IUPAC3,4-dihydro-2H-chromene-2-carboxamide
SMILESNC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C10H11NO2/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H2,11,12)
InChIKeyAFYJYAWBTFNDAN-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.87
Rot. Bonds1

About 3,4-dihydro-2H-chromene-2-carboxamide

3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 18621312) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID18621312
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3,4-dihydro-2H-chromene-2-carboxamide
SMILESNC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C10H11NO2/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H2,11,12)
InChIKeyAFYJYAWBTFNDAN-UHFFFAOYSA-N
XLogP0.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 3,4-dihydro-2H-chromene-2-carboxamide (CID 18621312) is 3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 3,4-dihydro-2H-chromene-2-carboxamide is NC(=O)C1CCc2ccccc2O1.
What is the InChIKey of 3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is AFYJYAWBTFNDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H2,11,12).
What are the key properties of 3,4-dihydro-2H-chromene-2-carboxamide?
3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 177.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 18621312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).