1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one

C12H19NO — CID 86255490

IUPAC1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one
SMILESC=CCC1(CC=C)CCCN(C)C1=O
InChIInChI=1S/C12H19NO/c1-4-7-12(8-5-2)9-6-10-13(3)11(12)14/h4-5H,1-2,6-10H2,3H3
InChIKeyYZFAJFMALKVVRM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.38
Rot. Bonds4

About 1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one

1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one (PubChem CID 86255490) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one
PubChem CID86255490
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one
SMILESC=CCC1(CC=C)CCCN(C)C1=O
InChIInChI=1S/C12H19NO/c1-4-7-12(8-5-2)9-6-10-13(3)11(12)14/h4-5H,1-2,6-10H2,3H3
InChIKeyYZFAJFMALKVVRM-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one?
The IUPAC name of 1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one (CID 86255490) is 1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one.
What is the SMILES notation for 1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one?
The canonical SMILES for 1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one is C=CCC1(CC=C)CCCN(C)C1=O.
What is the InChIKey of 1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one?
The InChIKey is YZFAJFMALKVVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-7-12(8-5-2)9-6-10-13(3)11(12)14/h4-5H,1-2,6-10H2,3H3.
What are the key properties of 1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one?
1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3-bis(prop-2-enyl)piperidin-2-one is sourced from PubChem (CID 86255490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).