(3S)-3,4-dihydro-1H-isochromene-3-carboxamide

C10H11NO2 — CID 97416732

IUPAC(3S)-3,4-dihydro-1H-isochromene-3-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2CO1
InChIInChI=1S/C10H11NO2/c11-10(12)9-5-7-3-1-2-4-8(7)6-13-9/h1-4,9H,5-6H2,(H2,11,12)/t9-/m0/s1
InChIKeyOWSXFDAVKFWNIJ-VIFPVBQESA-N
MW177.20 g/mol
LogP0.61
Rot. Bonds1

About (3S)-3,4-dihydro-1H-isochromene-3-carboxamide

(3S)-3,4-dihydro-1H-isochromene-3-carboxamide (PubChem CID 97416732) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3S)-3,4-dihydro-1H-isochromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-3,4-dihydro-1H-isochromene-3-carboxamide
PubChem CID97416732
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(3S)-3,4-dihydro-1H-isochromene-3-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2CO1
InChIInChI=1S/C10H11NO2/c11-10(12)9-5-7-3-1-2-4-8(7)6-13-9/h1-4,9H,5-6H2,(H2,11,12)/t9-/m0/s1
InChIKeyOWSXFDAVKFWNIJ-VIFPVBQESA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3,4-dihydro-1H-isochromene-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

2,3-Diphenyloxirane-2-carboxamide
CID 3434340
3-Methyl-3-phenyloxirane-2-carboximidic acid
CID 32382
2-(Benzyloxy)propanamide
CID 344960
2-Methoxy-2-phenylacetamide
CID 344721
((3S)-3,4-dihydro-1H-2-benzopyran-3-yl)methanamine
CID 97102720
2-Amino-2-oxo-1-phenylethyl acetate
CID 226476
Oxiranecarboxamide, 3-phenyl-, (2R,3S)-rel-
CID 10931765
trans-3-[2-(Trifluoromethyl)phenyl]-2,3-epoxy-propionic acid amide
CID 132427165
N-butyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 2985161
[(1R)-2-amino-2-oxo-1-phenylethyl] acetate
CID 10932296
3,4-Dihydro-1H-2-benzopyran-1-carbaldehyde
CID 12781267
Chroman-2-carboxamide
CID 18621312

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-dihydro-1H-isochromene-3-carboxamide?
The IUPAC name of (3S)-3,4-dihydro-1H-isochromene-3-carboxamide (CID 97416732) is (3S)-3,4-dihydro-1H-isochromene-3-carboxamide.
What is the SMILES notation for (3S)-3,4-dihydro-1H-isochromene-3-carboxamide?
The canonical SMILES for (3S)-3,4-dihydro-1H-isochromene-3-carboxamide is NC(=O)[C@@H]1Cc2ccccc2CO1.
What is the InChIKey of (3S)-3,4-dihydro-1H-isochromene-3-carboxamide?
The InChIKey is OWSXFDAVKFWNIJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11NO2/c11-10(12)9-5-7-3-1-2-4-8(7)6-13-9/h1-4,9H,5-6H2,(H2,11,12)/t9-/m0/s1.
What are the key properties of (3S)-3,4-dihydro-1H-isochromene-3-carboxamide?
(3S)-3,4-dihydro-1H-isochromene-3-carboxamide has a molecular weight of 177.20 g/mol, XLogP of 0.61, 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-1H-isochromene-3-carboxamide is sourced from PubChem (CID 97416732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).