(3R)-1-but-3-enyl-3-hydroxypiperidin-2-one

C9H15NO2 — CID 162859872

IUPAC(3R)-1-but-3-enyl-3-hydroxypiperidin-2-one
SMILESC=CCCN1CCC[C@@H](O)C1=O
InChIInChI=1S/C9H15NO2/c1-2-3-6-10-7-4-5-8(11)9(10)12/h2,8,11H,1,3-7H2/t8-/m1/s1
InChIKeyFMXMGMPOZHXTSH-MRVPVSSYSA-N
MW169.22 g/mol
LogP0.55
Rot. Bonds3

About (3R)-1-but-3-enyl-3-hydroxypiperidin-2-one

(3R)-1-but-3-enyl-3-hydroxypiperidin-2-one (PubChem CID 162859872) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3R)-1-but-3-enyl-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-1-but-3-enyl-3-hydroxypiperidin-2-one
PubChem CID162859872
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3R)-1-but-3-enyl-3-hydroxypiperidin-2-one
SMILESC=CCCN1CCC[C@@H](O)C1=O
InChIInChI=1S/C9H15NO2/c1-2-3-6-10-7-4-5-8(11)9(10)12/h2,8,11H,1,3-7H2/t8-/m1/s1
InChIKeyFMXMGMPOZHXTSH-MRVPVSSYSA-N
XLogP0.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.55
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-but-3-enyl-3-hydroxypiperidin-2-one
CID 130131103
3-hydroxy-1-(3-methylbutyl)piperidin-2-one
CID 117014091
1-but-3-enylpiperidin-2-one
CID 14225189
2-[2-[2-[(3S)-3-hydroxy-2-oxopiperidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139516887
3-butan-2-yl-1-but-3-enyl-1,4-diazepane-2,5-dione
CID 113466179
3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrate
CID 175014118
3-hydroxy-1-pentylpyrrolidin-2-one
CID 117014185
tert-butyl 4-but-3-enyl-2-methyl-3-oxopiperazine-1-carboxylate
CID 66999044
1-but-3-enyl-5-methyl-1,3-diazinane-2,4-dione
CID 78176488
(3S)-3-[(S)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-1-prop-2-enylpiperidin-2-one
CID 101075218
1-cycloheptyl-3-hydroxypiperidin-2-one
CID 117014090
1-pent-4-enyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337665

Frequently Asked Questions

What is the IUPAC name of (3R)-1-but-3-enyl-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-1-but-3-enyl-3-hydroxypiperidin-2-one (CID 162859872) is (3R)-1-but-3-enyl-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-1-but-3-enyl-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-1-but-3-enyl-3-hydroxypiperidin-2-one is C=CCCN1CCC[C@@H](O)C1=O.
What is the InChIKey of (3R)-1-but-3-enyl-3-hydroxypiperidin-2-one?
The InChIKey is FMXMGMPOZHXTSH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-6-10-7-4-5-8(11)9(10)12/h2,8,11H,1,3-7H2/t8-/m1/s1.
What are the key properties of (3R)-1-but-3-enyl-3-hydroxypiperidin-2-one?
(3R)-1-but-3-enyl-3-hydroxypiperidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-but-3-enyl-3-hydroxypiperidin-2-one is sourced from PubChem (CID 162859872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).