4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one

C9H12O2 — CID 57172721

IUPAC4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one
SMILESO=C(C=CC1=CCCC1)CO
InChIInChI=1S/C9H12O2/c10-7-9(11)6-5-8-3-1-2-4-8/h3,5-6,10H,1-2,4,7H2
InChIKeyPKKUGAAXILQLAC-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.21
Rot. Bonds3

About 4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one

4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one (PubChem CID 57172721) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one.

Molecular Properties

Compound Name4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one
PubChem CID57172721
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one
SMILESO=C(C=CC1=CCCC1)CO
InChIInChI=1S/C9H12O2/c10-7-9(11)6-5-8-3-1-2-4-8/h3,5-6,10H,1-2,4,7H2
InChIKeyPKKUGAAXILQLAC-UHFFFAOYSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one?
The IUPAC name of 4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one (CID 57172721) is 4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one.
What is the SMILES notation for 4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one?
The canonical SMILES for 4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one is O=C(C=CC1=CCCC1)CO.
What is the InChIKey of 4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one?
The InChIKey is PKKUGAAXILQLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-7-9(11)6-5-8-3-1-2-4-8/h3,5-6,10H,1-2,4,7H2.
What are the key properties of 4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one?
4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenten-1-yl)-1-hydroxybut-3-en-2-one is sourced from PubChem (CID 57172721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).