1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone

C11H18O2 — CID 102051003

IUPAC1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
SMILESC=CCC[C@]1(C(C)=O)CCC[C@H]1O
InChIInChI=1S/C11H18O2/c1-3-4-7-11(9(2)12)8-5-6-10(11)13/h3,10,13H,1,4-8H2,2H3/t10-,11-/m1/s1
InChIKeyKFNRGMWCWCOYQX-GHMZBOCLSA-N
MW182.26 g/mol
LogP2.07
Rot. Bonds4

About 1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone

1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone (PubChem CID 102051003) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
PubChem CID102051003
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
SMILESC=CCC[C@]1(C(C)=O)CCC[C@H]1O
InChIInChI=1S/C11H18O2/c1-3-4-7-11(9(2)12)8-5-6-10(11)13/h3,10,13H,1,4-8H2,2H3/t10-,11-/m1/s1
InChIKeyKFNRGMWCWCOYQX-GHMZBOCLSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.07
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

1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone
CID 102050999
cis-ethyl (1R,2R)-2-hydroxy-1-prop-2-enylcyclohexane-1-carboxylate
CID 101032729
1-but-3-enyl-3-ethylcyclohexane-1-carboxylic acid
CID 79428476
trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate
CID 100924279
2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
CID 68881461
2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
CID 85299271
cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid
CID 10535426
1-[(1R,2R)-1,2-dihydroxycyclohexyl]ethanone
CID 130753130
1-[(1S,2S)-2-hydroxy-1-methylcyclohexyl]ethanone
CID 42646159
methyl 1-but-3-enylcyclopentane-1-carboxylate;methyl cyclopentanecarboxylate
CID 158701514
2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 131021386
1-but-3-enyl-4,4-dimethylcycloheptan-1-ol
CID 130913852

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone?
The IUPAC name of 1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone (CID 102051003) is 1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone is C=CCC[C@]1(C(C)=O)CCC[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone?
The InChIKey is KFNRGMWCWCOYQX-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-7-11(9(2)12)8-5-6-10(11)13/h3,10,13H,1,4-8H2,2H3/t10-,11-/m1/s1.
What are the key properties of 1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone?
1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone has a molecular weight of 182.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone is sourced from PubChem (CID 102051003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).