1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide

C10H15N3O4 — CID 83058880

IUPAC1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide
SMILESCCn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)O
InChIInChI=1S/C10H15N3O4/c1-3-12-6-8(13(16)17)4-9(12)10(15)11-5-7(2)14/h4,6-7,14H,3,5H2,1-2H3,(H,11,15)/t7-/m0/s1
InChIKeyVKPFMIPGZHEZAD-ZETCQYMHSA-N
MW241.25 g/mol
LogP0.53
Rot. Bonds5

About 1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide

1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide (PubChem CID 83058880) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide
PubChem CID83058880
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide
SMILESCCn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)O
InChIInChI=1S/C10H15N3O4/c1-3-12-6-8(13(16)17)4-9(12)10(15)11-5-7(2)14/h4,6-7,14H,3,5H2,1-2H3,(H,11,15)/t7-/m0/s1
InChIKeyVKPFMIPGZHEZAD-ZETCQYMHSA-N
XLogP0.53
TPSA97.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-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

5-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 82009497
N-(2-amino-2-methylpropyl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 113282690
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512
N-(3-hydroxybutyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 64912418
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethyl-4-nitropyrrole-2-carboxamide
CID 106143234
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-4-nitropyrrole-2-carboxamide
CID 61246950
(2S)-2-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 61137766
2-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 43639679
1-ethyl-4-nitro-N-(1H-pyrrol-3-ylmethyl)pyrrole-2-carboxamide
CID 106385473
N-(3-azidopropyl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 61344558

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide (CID 83058880) is 1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide is CCn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)O.
What is the InChIKey of 1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide?
The InChIKey is VKPFMIPGZHEZAD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-12-6-8(13(16)17)4-9(12)10(15)11-5-7(2)14/h4,6-7,14H,3,5H2,1-2H3,(H,11,15)/t7-/m0/s1.
What are the key properties of 1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide?
1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 83058880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).