1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one

C10H19NO2 — CID 115773389

IUPAC1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(CCCO)C1
InChIInChI=1S/C10H19NO2/c1-8(2)9-6-10(13)11(7-9)4-3-5-12/h8-9,12H,3-7H2,1-2H3
InChIKeyZFWDQSFPWBRZMS-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.87
Rot. Bonds4

About 1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one

1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one (PubChem CID 115773389) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
PubChem CID115773389
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(CCCO)C1
InChIInChI=1S/C10H19NO2/c1-8(2)9-6-10(13)11(7-9)4-3-5-12/h8-9,12H,3-7H2,1-2H3
InChIKeyZFWDQSFPWBRZMS-UHFFFAOYSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methylpropylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511445
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-[4-(ethylamino)hexyl]-4-propan-2-ylpyrrolidin-2-one
CID 106800567
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen
CID 171546139
1-[2-(2-hydroxycyclopentyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 113421234
1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512318
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
1-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 104511173
(4S)-1-methyl-4-propan-2-ylpyrrolidin-2-one
CID 129101287

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one (CID 115773389) is 1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)N(CCCO)C1.
What is the InChIKey of 1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is ZFWDQSFPWBRZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)9-6-10(13)11(7-9)4-3-5-12/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one?
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 115773389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).