N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide

C12H15NO2 — CID 15432723

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C12H15NO2/c1-2-11(15)13-12-9-6-4-3-5-8(9)7-10(12)14/h3-6,10,12,14H,2,7H2,1H3,(H,13,15)/t10-,12+/m0/s1
InChIKeyKKVCWZKJRZAJFM-CMPLNLGQSA-N
MW205.26 g/mol
LogP1.17
Rot. Bonds2

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 15432723) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID15432723
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C12H15NO2/c1-2-11(15)13-12-9-6-4-3-5-8(9)7-10(12)14/h3-6,10,12,14H,2,7H2,1H3,(H,13,15)/t10-,12+/m0/s1
InChIKeyKKVCWZKJRZAJFM-CMPLNLGQSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide 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-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
CID 103816825
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide
CID 111696445
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
ethyl 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoate
CID 61367406
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 103816914
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylsulfonylpropanamide
CID 61366824
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide
CID 103862985

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide (CID 15432723) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide is CCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is KKVCWZKJRZAJFM-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-11(15)13-12-9-6-4-3-5-8(9)7-10(12)14/h3-6,10,12,14H,2,7H2,1H3,(H,13,15)/t10-,12+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 205.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 15432723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).