1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one

C10H19NO2 — CID 104982251

IUPAC1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C10H19NO2/c1-3-8(2)6-10(13)11-5-4-9(12)7-11/h8-9,12H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyIBQPCFPQTGLHLI-GKAPJAKFSA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds3

About 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one

1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one (PubChem CID 104982251) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
PubChem CID104982251
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C10H19NO2/c1-3-8(2)6-10(13)11-5-4-9(12)7-11/h8-9,12H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeyIBQPCFPQTGLHLI-GKAPJAKFSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 81080868
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 114875391
2-[1-(3-methylpentanoyl)pyrrolidin-3-yl]acetic acid
CID 114873775
5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 114875598
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one
CID 107217188
1-(3-methylpentanoyl)piperidine-3-carbonitrile
CID 114874755
(3S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenylbutan-1-one
CID 129471018
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbut-3-en-1-one
CID 130920541
1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone
CID 62943798
1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one
CID 114875457

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one?
The IUPAC name of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one (CID 104982251) is 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one is CCC(C)CC(=O)N1CC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one?
The InChIKey is IBQPCFPQTGLHLI-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8(2)6-10(13)11-5-4-9(12)7-11/h8-9,12H,3-7H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one?
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 104982251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).