6-buta-2,3-dien-2-ylpiperidin-2-one

C9H13NO — CID 101107957

IUPAC6-buta-2,3-dien-2-ylpiperidin-2-one
SMILESC=C=C(C)C1CCCC(=O)N1
InChIInChI=1S/C9H13NO/c1-3-7(2)8-5-4-6-9(11)10-8/h8H,1,4-6H2,2H3,(H,10,11)
InChIKeyHBYYWXSQHBJBFO-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.39
Rot. Bonds1

About 6-buta-2,3-dien-2-ylpiperidin-2-one

6-buta-2,3-dien-2-ylpiperidin-2-one (PubChem CID 101107957) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-buta-2,3-dien-2-ylpiperidin-2-one.

Molecular Properties

Compound Name6-buta-2,3-dien-2-ylpiperidin-2-one
PubChem CID101107957
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-buta-2,3-dien-2-ylpiperidin-2-one
SMILESC=C=C(C)C1CCCC(=O)N1
InChIInChI=1S/C9H13NO/c1-3-7(2)8-5-4-6-9(11)10-8/h8H,1,4-6H2,2H3,(H,10,11)
InChIKeyHBYYWXSQHBJBFO-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(Prop-2-en-1-yl)piperidin-2-one
CID 14507689
6-But-3-enylpiperidin-2-one
CID 9989435
(5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one
CID 11480552
6-Propadienylpiperidin-2-one
CID 13286849
6-Buta-1,3-dien-2-ylpiperidin-2-one
CID 12104445
3,4,6,7,8,8a-hexahydro-1H-quinolin-2-one
CID 13178859
6-Ethenylpiperidin-2-one
CID 22163942
3-Ethenyl-6-ethylpiperidin-2-one
CID 69347053
5-Penta-1,2-dien-3-ylpyrrolidin-2-one
CID 134510875
5-methyl-N-(2-piperidin-2-ylethyl)hex-5-enamide
CID 144920966
(5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane
CID 144964928
6-Ethenyl-3-methylpiperidin-2-one
CID 154148105

Frequently Asked Questions

What is the IUPAC name of 6-buta-2,3-dien-2-ylpiperidin-2-one?
The IUPAC name of 6-buta-2,3-dien-2-ylpiperidin-2-one (CID 101107957) is 6-buta-2,3-dien-2-ylpiperidin-2-one.
What is the SMILES notation for 6-buta-2,3-dien-2-ylpiperidin-2-one?
The canonical SMILES for 6-buta-2,3-dien-2-ylpiperidin-2-one is C=C=C(C)C1CCCC(=O)N1.
What is the InChIKey of 6-buta-2,3-dien-2-ylpiperidin-2-one?
The InChIKey is HBYYWXSQHBJBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-7(2)8-5-4-6-9(11)10-8/h8H,1,4-6H2,2H3,(H,10,11).
What are the key properties of 6-buta-2,3-dien-2-ylpiperidin-2-one?
6-buta-2,3-dien-2-ylpiperidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-buta-2,3-dien-2-ylpiperidin-2-one is sourced from PubChem (CID 101107957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).