1-(cyclopenten-1-yl)-4-hydroxybutan-1-one

C9H14O2 — CID 91273247

IUPAC1-(cyclopenten-1-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)C1=CCCC1
InChIInChI=1S/C9H14O2/c10-7-3-6-9(11)8-4-1-2-5-8/h4,10H,1-3,5-7H2
InChIKeyMREGGFDZXZZVTC-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds4

About 1-(cyclopenten-1-yl)-4-hydroxybutan-1-one

1-(cyclopenten-1-yl)-4-hydroxybutan-1-one (PubChem CID 91273247) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-4-hydroxybutan-1-one
PubChem CID91273247
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(cyclopenten-1-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)C1=CCCC1
InChIInChI=1S/C9H14O2/c10-7-3-6-9(11)8-4-1-2-5-8/h4,10H,1-3,5-7H2
InChIKeyMREGGFDZXZZVTC-UHFFFAOYSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-4-hydroxybutan-1-one?
The IUPAC name of 1-(cyclopenten-1-yl)-4-hydroxybutan-1-one (CID 91273247) is 1-(cyclopenten-1-yl)-4-hydroxybutan-1-one.
What is the SMILES notation for 1-(cyclopenten-1-yl)-4-hydroxybutan-1-one?
The canonical SMILES for 1-(cyclopenten-1-yl)-4-hydroxybutan-1-one is O=C(CCCO)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-4-hydroxybutan-1-one?
The InChIKey is MREGGFDZXZZVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-7-3-6-9(11)8-4-1-2-5-8/h4,10H,1-3,5-7H2.
What are the key properties of 1-(cyclopenten-1-yl)-4-hydroxybutan-1-one?
1-(cyclopenten-1-yl)-4-hydroxybutan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-4-hydroxybutan-1-one is sourced from PubChem (CID 91273247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).