1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone

C10H17NO — CID 91499746

IUPAC1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone
SMILESC=C(C)C1CCCCN1C(C)=O
InChIInChI=1S/C10H17NO/c1-8(2)10-6-4-5-7-11(10)9(3)12/h10H,1,4-7H2,2-3H3
InChIKeyKWRZKUSRWLKQCT-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.96
Rot. Bonds1

About 1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone

1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone (PubChem CID 91499746) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone
PubChem CID91499746
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone
SMILESC=C(C)C1CCCCN1C(C)=O
InChIInChI=1S/C10H17NO/c1-8(2)10-6-4-5-7-11(10)9(3)12/h10H,1,4-7H2,2-3H3
InChIKeyKWRZKUSRWLKQCT-UHFFFAOYSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-Methylammodendrine
CID 171125
(S)-1-(5-(1-Methylpiperidin-2-yl)-3,4-dihydropyridin-1(2H)-yl)ethan-1-one
CID 44583965
N-methylammodendrine
CID 11218329
(2R)-2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidine-1-carbaldehyde
CID 102247177
Cambridge id 5416575
CID 782181
Pyridine, 1-acetyl-5-(1-formyl-2-piperidinyl)-1,2,3,4-tetrahydro-
CID 612613
1-Acetyl-5-(1-acetyl-2-piperidinyl)-1,2,3,4-tetrahydropyridine
CID 615947
1-[2-(2,3-Dimethylbut-2-enyl)piperidin-1-yl]ethanone
CID 71525966
N-(2,6-dimethylhepta-1,6-dien-4-yl)-N-prop-2-enylacetamide
CID 101720955
1-[(2R)-4-methyl-2-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 101720956
3-Methylidene-1-pentan-3-ylpiperidin-2-one
CID 101737967
1-[(5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 154709316

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone (CID 91499746) is 1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone is C=C(C)C1CCCCN1C(C)=O.
What is the InChIKey of 1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone?
The InChIKey is KWRZKUSRWLKQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)10-6-4-5-7-11(10)9(3)12/h10H,1,4-7H2,2-3H3.
What are the key properties of 1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone?
1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-1-en-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 91499746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).