5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile

C13H17N3O2 — CID 111969485

IUPAC5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c[nH]c(C(=O)N2CCCC2CCCO)c1
InChIInChI=1S/C13H17N3O2/c14-8-10-7-12(15-9-10)13(18)16-5-1-3-11(16)4-2-6-17/h7,9,11,15,17H,1-6H2
InChIKeyYNEVYCAZIMFTDL-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.26
Rot. Bonds4

About 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile

5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile (PubChem CID 111969485) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
PubChem CID111969485
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c[nH]c(C(=O)N2CCCC2CCCO)c1
InChIInChI=1S/C13H17N3O2/c14-8-10-7-12(15-9-10)13(18)16-5-1-3-11(16)4-2-6-17/h7,9,11,15,17H,1-6H2
InChIKeyYNEVYCAZIMFTDL-UHFFFAOYSA-N
XLogP1.26
TPSA80.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile 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-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
CID 126439587
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-1H-pyrrole-3-carbonitrile
CID 127403442
(4,5-dichloro-1H-pyrrol-2-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468946
(4-bromo-1H-pyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411245
(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103932935
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186797
5-[(4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carbonyl]-1H-pyrrole-3-carbonitrile
CID 97076194
furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468240
(2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 107722906
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 62479974
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850426

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile (CID 111969485) is 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile is N#Cc1c[nH]c(C(=O)N2CCCC2CCCO)c1.
What is the InChIKey of 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile?
The InChIKey is YNEVYCAZIMFTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-8-10-7-12(15-9-10)13(18)16-5-1-3-11(16)4-2-6-17/h7,9,11,15,17H,1-6H2.
What are the key properties of 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile?
5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 111969485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).