1-prop-1-en-2-ylpiperidin-4-one

C8H13NO — CID 91039142

IUPAC1-prop-1-en-2-ylpiperidin-4-one
SMILESC=C(C)N1CCC(=O)CC1
InChIInChI=1S/C8H13NO/c1-7(2)9-5-3-8(10)4-6-9/h1,3-6H2,2H3
InChIKeyFANPQJITGRLARL-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds1

About 1-prop-1-en-2-ylpiperidin-4-one

1-prop-1-en-2-ylpiperidin-4-one (PubChem CID 91039142) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-prop-1-en-2-ylpiperidin-4-one.

Molecular Properties

Compound Name1-prop-1-en-2-ylpiperidin-4-one
PubChem CID91039142
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-prop-1-en-2-ylpiperidin-4-one
SMILESC=C(C)N1CCC(=O)CC1
InChIInChI=1S/C8H13NO/c1-7(2)9-5-3-8(10)4-6-9/h1,3-6H2,2H3
InChIKeyFANPQJITGRLARL-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-1-prop-1-en-2-ylpiperidin-4-one
CID 144160453
2-Ethylidene-1-methylpiperidin-4-one
CID 70610707
1,3-Dimethyl-2-methylidenepiperidin-4-one
CID 91447516
(2E)-2-(dimethylaminomethylidene)-1-methylpiperidin-4-one
CID 140205122
(2E)-2-ethylidene-1-methylpiperidin-4-one
CID 140323874
1-Cyclopropyl-2-methylidenepiperidin-4-one
CID 141460432
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-one
CID 141933366
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-4-one
CID 141933367
ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one
CID 142088727
1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one
CID 142088728
4-[Methyl(prop-1-en-2-yl)amino]butan-2-one
CID 142894760
1-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-one
CID 144129327

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylpiperidin-4-one?
The IUPAC name of 1-prop-1-en-2-ylpiperidin-4-one (CID 91039142) is 1-prop-1-en-2-ylpiperidin-4-one.
What is the SMILES notation for 1-prop-1-en-2-ylpiperidin-4-one?
The canonical SMILES for 1-prop-1-en-2-ylpiperidin-4-one is C=C(C)N1CCC(=O)CC1.
What is the InChIKey of 1-prop-1-en-2-ylpiperidin-4-one?
The InChIKey is FANPQJITGRLARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(2)9-5-3-8(10)4-6-9/h1,3-6H2,2H3.
What are the key properties of 1-prop-1-en-2-ylpiperidin-4-one?
1-prop-1-en-2-ylpiperidin-4-one has a molecular weight of 139.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-ylpiperidin-4-one is sourced from PubChem (CID 91039142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).