(2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one

C9H14O2 — CID 102347698

IUPAC(2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one
SMILESC=CCC[C@@]1(O)CCCC1=O
InChIInChI=1S/C9H14O2/c1-2-3-6-9(11)7-4-5-8(9)10/h2,11H,1,3-7H2/t9-/m1/s1
InChIKeyNVKJCSZFTWFSOB-SECBINFHSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds3

About (2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one

(2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one (PubChem CID 102347698) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one
PubChem CID102347698
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one
SMILESC=CCC[C@@]1(O)CCCC1=O
InChIInChI=1S/C9H14O2/c1-2-3-6-9(11)7-4-5-8(9)10/h2,11H,1,3-7H2/t9-/m1/s1
InChIKeyNVKJCSZFTWFSOB-SECBINFHSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxy-2-[(Z)-oct-2-enyl]cyclopentan-1-one
CID 13822543
2-hydroxy-2-[(Z)-oct-2-enyl]cyclopentan-1-one
CID 13822542
2-Hydroxy-2-oct-2-enylcyclopentan-1-one
CID 70426941
1-(1-Hydroxycyclohexyl)pent-4-en-1-one
CID 10012570
2-Hydroxy-2-prop-2-enylcyclohexan-1-one
CID 10888124
Cyclohexanone, 2-hydroxy-2-(2-propenyl)-, (2R)-
CID 10888127
2-Hydroxy-2-prop-1-en-2-ylcyclopentan-1-one
CID 12280159
2-(Buta-2,3-dien-2-yl)-2-hydroxycyclopentan-1-one
CID 13153055
2-Ethenyl-2-hydroxycyclopentan-1-one
CID 14845928
(2R)-2-hydroxy-2-oct-2-enylcyclopentan-1-one
CID 71355549
2-Hydroxy-2-(oct-7-EN-1-YL)cyclopentan-1-one
CID 71366374
6-Deuterio-2-hydroxy-2-prop-2-enylcyclohexan-1-one
CID 100945101

Frequently Asked Questions

What is the IUPAC name of (2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one?
The IUPAC name of (2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one (CID 102347698) is (2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one.
What is the SMILES notation for (2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one?
The canonical SMILES for (2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one is C=CCC[C@@]1(O)CCCC1=O.
What is the InChIKey of (2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one?
The InChIKey is NVKJCSZFTWFSOB-SECBINFHSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-6-9(11)7-4-5-8(9)10/h2,11H,1,3-7H2/t9-/m1/s1.
What are the key properties of (2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one?
(2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-but-3-enyl-2-hydroxycyclopentan-1-one is sourced from PubChem (CID 102347698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).