4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide

C11H16N2O3 — CID 43394554

IUPAC4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCC(CO)NC(=O)c1cc(C(C)=O)c[nH]1
InChIInChI=1S/C11H16N2O3/c1-3-9(6-14)13-11(16)10-4-8(5-12-10)7(2)15/h4-5,9,12,14H,3,6H2,1-2H3,(H,13,16)
InChIKeyZKFRUCMYSVCPID-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.72
Rot. Bonds5

About 4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 43394554) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID43394554
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCC(CO)NC(=O)c1cc(C(C)=O)c[nH]1
InChIInChI=1S/C11H16N2O3/c1-3-9(6-14)13-11(16)10-4-8(5-12-10)7(2)15/h4-5,9,12,14H,3,6H2,1-2H3,(H,13,16)
InChIKeyZKFRUCMYSVCPID-UHFFFAOYSA-N
XLogP0.72
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-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

4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
CID 104981075
(2S,3S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 61132584
N-(1-hydroxybutan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
CID 43394223
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide
CID 46415953
(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353042
4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 97340263
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141279449
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
4-acetyl-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43394553
4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 8533676
4-acetyl-N-(1,3-dihydroxy-1-pyridin-2-ylpropan-2-yl)-1H-pyrrole-2-carboxamide
CID 166322487

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide (CID 43394554) is 4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide is CCC(CO)NC(=O)c1cc(C(C)=O)c[nH]1.
What is the InChIKey of 4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZKFRUCMYSVCPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-9(6-14)13-11(16)10-4-8(5-12-10)7(2)15/h4-5,9,12,14H,3,6H2,1-2H3,(H,13,16).
What are the key properties of 4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43394554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).