(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C13H19ClN2O2 — CID 61409094

IUPAC(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)n1cc(Cl)cc1C(=O)N1CCCC1CO
InChIInChI=1S/C13H19ClN2O2/c1-9(2)16-7-10(14)6-12(16)13(18)15-5-3-4-11(15)8-17/h6-7,9,11,17H,3-5,8H2,1-2H3
InChIKeyJYWJCDAIJHEZKO-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.32
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 61409094) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID61409094
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)n1cc(Cl)cc1C(=O)N1CCCC1CO
InChIInChI=1S/C13H19ClN2O2/c1-9(2)16-7-10(14)6-12(16)13(18)15-5-3-4-11(15)8-17/h6-7,9,11,17H,3-5,8H2,1-2H3
InChIKeyJYWJCDAIJHEZKO-UHFFFAOYSA-N
XLogP2.32
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propylpyrrol-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261068
1-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107069435
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-chloro-1-propan-2-ylpyrrol-2-yl)methanone
CID 80504885
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81485100
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62889680
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 43641494
2-[1-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690247
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104956210
1-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421311
(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81219803
(2,6-dichloro-4-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955470
(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411311

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 61409094) is (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is CC(C)n1cc(Cl)cc1C(=O)N1CCCC1CO.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JYWJCDAIJHEZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)16-7-10(14)6-12(16)13(18)15-5-3-4-11(15)8-17/h6-7,9,11,17H,3-5,8H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 270.76 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 61409094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).