N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide

C8H12N2O2 — CID 66897160

IUPACN-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc[nH]c1
InChIInChI=1S/C8H12N2O2/c1-6(5-11)10-8(12)7-2-3-9-4-7/h2-4,6,9,11H,5H2,1H3,(H,10,12)/t6-/m0/s1
InChIKeyIGNRZYYZDYSUIA-LURJTMIESA-N
MW168.20 g/mol
LogP0.13
Rot. Bonds3

About N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide (PubChem CID 66897160) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide
PubChem CID66897160
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc[nH]c1
InChIInChI=1S/C8H12N2O2/c1-6(5-11)10-8(12)7-2-3-9-4-7/h2-4,6,9,11H,5H2,1H3,(H,10,12)/t6-/m0/s1
InChIKeyIGNRZYYZDYSUIA-LURJTMIESA-N
XLogP0.13
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-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

1H-pyrrole-3-carboxamide
CID 19067979
N,N-dimethyl-1H-pyrrole-3-carboxamide
CID 23057984
(2R*,6S*)-2,6-dimethyl-4-[1-(1H-pyrrol-3-ylcarbonyl)-4-piperidinyl]morpholine
CID 70721047
1,5-anhydro-2,4-dideoxy-3-O-[2-(dimethylamino)ethyl]-4-[(1H-pyrrol-3-ylcarbonyl)amino]-D-erythro-pentitol
CID 91796143
4-fluoro-4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 91345504
N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide
CID 127008680
N-(4,4,4-trifluoro-3-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141125893
N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide
CID 141125916
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide
CID 154637350
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-tert-butylpyrrole-3-carboxamide
CID 154637414
N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 154662954
1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-N-tert-butylpyrrole-3-carboxamide
CID 154983816

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide (CID 66897160) is N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide is C[C@@H](CO)NC(=O)c1cc[nH]c1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is IGNRZYYZDYSUIA-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(5-11)10-8(12)7-2-3-9-4-7/h2-4,6,9,11H,5H2,1H3,(H,10,12)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 66897160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).