[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone

C13H19N3O4 — CID 62469311

IUPAC[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone
SMILESCn1cc([N+](=O)[O-])cc1C(=O)N1CCCC1CCCO
InChIInChI=1S/C13H19N3O4/c1-14-9-11(16(19)20)8-12(14)13(18)15-6-2-4-10(15)5-3-7-17/h8-10,17H,2-7H2,1H3
InChIKeyNCPICIWFBYLUIM-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.31
Rot. Bonds5

About [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone (PubChem CID 62469311) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone
PubChem CID62469311
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone
SMILESCn1cc([N+](=O)[O-])cc1C(=O)N1CCCC1CCCO
InChIInChI=1S/C13H19N3O4/c1-14-9-11(16(19)20)8-12(14)13(18)15-6-2-4-10(15)5-3-7-17/h8-10,17H,2-7H2,1H3
InChIKeyNCPICIWFBYLUIM-UHFFFAOYSA-N
XLogP1.31
TPSA88.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
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 [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone 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-bromopropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone
CID 80676222
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone
CID 80504927
(1,5-dimethylpyrrol-2-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468058
2-[1-(1-ethyl-4-nitropyrrole-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371291
(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103932935
2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CID 62468286
(1-methyl-4-nitropyrrol-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705263
(4-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-4-nitropyrrol-2-yl)methanone
CID 114680315
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
(3-bromopyrrolidin-1-yl)-(1-methyl-4-nitropyrrol-2-yl)methanone
CID 80677707
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186797
(4-bromo-1-methylpyrrol-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81485094

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone?
The IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone (CID 62469311) is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone.
What is the SMILES notation for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone?
The canonical SMILES for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone is Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC1CCCO.
What is the InChIKey of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone?
The InChIKey is NCPICIWFBYLUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-14-9-11(16(19)20)8-12(14)13(18)15-6-2-4-10(15)5-3-7-17/h8-10,17H,2-7H2,1H3.
What are the key properties of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone?
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone has a molecular weight of 281.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone is sourced from PubChem (CID 62469311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).