1-cyclopropyl-4-hydroxypentan-1-one

C8H14O2 — CID 15726184

IUPAC1-cyclopropyl-4-hydroxypentan-1-one
SMILESCC(O)CCC(=O)C1CC1
InChIInChI=1S/C8H14O2/c1-6(9)2-5-8(10)7-3-4-7/h6-7,9H,2-5H2,1H3
InChIKeyHWXPMFOXSDUPCC-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds4

About 1-cyclopropyl-4-hydroxypentan-1-one

1-cyclopropyl-4-hydroxypentan-1-one (PubChem CID 15726184) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-cyclopropyl-4-hydroxypentan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-4-hydroxypentan-1-one
PubChem CID15726184
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-cyclopropyl-4-hydroxypentan-1-one
SMILESCC(O)CCC(=O)C1CC1
InChIInChI=1S/C8H14O2/c1-6(9)2-5-8(10)7-3-4-7/h6-7,9H,2-5H2,1H3
InChIKeyHWXPMFOXSDUPCC-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
2,8-dihydroxynonan-5-one
CID 174799972
1-cyclopropyl-3-hydroxypropan-1-one
CID 115011064
6-amino-1-cyclopropyl-4-ethylhexan-1-one
CID 116578317
(6S)-6-hydroxyheptan-3-one
CID 163026982
4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
CID 116916278
(5S)-5-hydroxyhexan-2-one
CID 11491928
1-cyclopentyl-7-methyloctan-1-one
CID 155793674
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one
CID 106727073
4-hydroxy-1-pyrrolidin-1-ylpentan-1-one
CID 54374776
tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate
CID 169113175

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-hydroxypentan-1-one?
The IUPAC name of 1-cyclopropyl-4-hydroxypentan-1-one (CID 15726184) is 1-cyclopropyl-4-hydroxypentan-1-one.
What is the SMILES notation for 1-cyclopropyl-4-hydroxypentan-1-one?
The canonical SMILES for 1-cyclopropyl-4-hydroxypentan-1-one is CC(O)CCC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-hydroxypentan-1-one?
The InChIKey is HWXPMFOXSDUPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(9)2-5-8(10)7-3-4-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-4-hydroxypentan-1-one?
1-cyclopropyl-4-hydroxypentan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-hydroxypentan-1-one is sourced from PubChem (CID 15726184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).