(3S)-3,4-dihydro-2H-chromene-3-carboxamide

C10H11NO2 — CID 51885464

IUPAC(3S)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C10H11NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8H,5-6H2,(H2,11,12)/t8-/m0/s1
InChIKeyDBBBCNGRBMIAEJ-QMMMGPOBSA-N
MW177.20 g/mol
LogP0.72
Rot. Bonds1

About (3S)-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 51885464) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3S)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID51885464
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(3S)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C10H11NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8H,5-6H2,(H2,11,12)/t8-/m0/s1
InChIKeyDBBBCNGRBMIAEJ-QMMMGPOBSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
6-amino-3,4-dihydro-2H-chromene-3-carboxamide
CID 43209471
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106
(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97072881
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
(2-amino-3-pyridinyl)-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 65408944
cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 55429666
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-3,4-dihydro-2H-chromene-3-carboxamide (CID 51885464) is (3S)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-3,4-dihydro-2H-chromene-3-carboxamide is NC(=O)[C@@H]1COc2ccccc2C1.
What is the InChIKey of (3S)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DBBBCNGRBMIAEJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8H,5-6H2,(H2,11,12)/t8-/m0/s1.
What are the key properties of (3S)-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 177.20 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 51885464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).