4-hydroxy-1-pyrrolidin-1-ylpentan-1-one

C9H17NO2 — CID 54374776

IUPAC4-hydroxy-1-pyrrolidin-1-ylpentan-1-one
SMILESCC(O)CCC(=O)N1CCCC1
InChIInChI=1S/C9H17NO2/c1-8(11)4-5-9(12)10-6-2-3-7-10/h8,11H,2-7H2,1H3
InChIKeyRAYVMQBGTGFINH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds3

About 4-hydroxy-1-pyrrolidin-1-ylpentan-1-one

4-hydroxy-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 54374776) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-hydroxy-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-pyrrolidin-1-ylpentan-1-one
PubChem CID54374776
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-hydroxy-1-pyrrolidin-1-ylpentan-1-one
SMILESCC(O)CCC(=O)N1CCCC1
InChIInChI=1S/C9H17NO2/c1-8(11)4-5-9(12)10-6-2-3-7-10/h8,11H,2-7H2,1H3
InChIKeyRAYVMQBGTGFINH-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4,5-dimethyl-1-pyrrolidin-1-ylhexan-1-one
CID 169219250
4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde
CID 82113570
4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106741495
1-(4-hydroxypentanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200487
1-(4,4-diethylpiperidin-1-yl)-4-hydroxypentan-1-one
CID 79192492
(2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal
CID 90877548
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one
CID 82693542
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103540685
5-methyl-1-pyrrolidin-1-yloctan-1-one
CID 168981968
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 4-hydroxy-1-pyrrolidin-1-ylpentan-1-one (CID 54374776) is 4-hydroxy-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 4-hydroxy-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 4-hydroxy-1-pyrrolidin-1-ylpentan-1-one is CC(O)CCC(=O)N1CCCC1.
What is the InChIKey of 4-hydroxy-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is RAYVMQBGTGFINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(11)4-5-9(12)10-6-2-3-7-10/h8,11H,2-7H2,1H3.
What are the key properties of 4-hydroxy-1-pyrrolidin-1-ylpentan-1-one?
4-hydroxy-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 54374776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).