1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C13H20N2O3 — CID 61409118

IUPAC1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2CO)CN1C1CC1
InChIInChI=1S/C13H20N2O3/c16-8-11-2-1-5-14(11)13(18)9-6-12(17)15(7-9)10-3-4-10/h9-11,16H,1-8H2
InChIKeyNOELKUHMAMJALC-UHFFFAOYSA-N
MW252.31 g/mol
LogP-0.02
Rot. Bonds3

About 1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 61409118) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID61409118
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2CO)CN1C1CC1
InChIInChI=1S/C13H20N2O3/c16-8-11-2-1-5-14(11)13(18)9-6-12(17)15(7-9)10-3-4-10/h9-11,16H,1-8H2
InChIKeyNOELKUHMAMJALC-UHFFFAOYSA-N
XLogP-0.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-cyclopropyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95603675
(4R)-1-cyclopropyl-4-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94620798
1-cyclopropyl-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 43422106
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
(4S)-1-cyclopentyl-4-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 129427813
2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54377731
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
1-cyclopropyl-4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 71872964
2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 106893221
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
4-[2-(hydroxymethyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 116636786
(4R)-1-cyclopropyl-4-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95567810

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 61409118) is 1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is O=C1CC(C(=O)N2CCCC2CO)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is NOELKUHMAMJALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-8-11-2-1-5-14(11)13(18)9-6-12(17)15(7-9)10-3-4-10/h9-11,16H,1-8H2.
What are the key properties of 1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 252.31 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 61409118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).