6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one

C12H21NO — CID 102384804

IUPAC6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one
SMILESC=C1CCC(C)N(C(CC)CC)C1=O
InChIInChI=1S/C12H21NO/c1-5-11(6-2)13-10(4)8-7-9(3)12(13)14/h10-11H,3,5-8H2,1-2,4H3
InChIKeyOKDWTVROULXIFO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.74
Rot. Bonds3

About 6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one

6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one (PubChem CID 102384804) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one.

Molecular Properties

Compound Name6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one
PubChem CID102384804
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one
SMILESC=C1CCC(C)N(C(CC)CC)C1=O
InChIInChI=1S/C12H21NO/c1-5-11(6-2)13-10(4)8-7-9(3)12(13)14/h10-11H,3,5-8H2,1-2,4H3
InChIKeyOKDWTVROULXIFO-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-methylidenepiperidin-2-one
CID 10486852
(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)piperidin-2-one
CID 11385532
1-Cyclohexyl-3-methylidene-4-propylazetidin-2-one
CID 12680775
1-But-3-enyl-6-ethenylpiperidin-2-one
CID 14942502
3-Methylidene-1-pentan-3-ylpiperidin-2-one
CID 101737967
6-Ethenyl-1-pent-4-enylpiperidin-2-one
CID 131874685
1-Methyl-6-propa-1,2-dienylpiperidin-2-one
CID 134856665
6-Ethenyl-1-hex-5-enylpiperidin-2-one
CID 134897626
6-Buta-1,3-dien-2-yl-1-prop-2-enylpiperidin-2-one
CID 12104446
5,5-Dimethyl-3-methylidene-1-propylpiperidin-2-one
CID 14356470
1-Butyl-6-prop-2-enylpiperidin-2-one
CID 86109717
N,N-diethyl-2-methylidenehexanamide
CID 12525278

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one?
The IUPAC name of 6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one (CID 102384804) is 6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one.
What is the SMILES notation for 6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one?
The canonical SMILES for 6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one is C=C1CCC(C)N(C(CC)CC)C1=O.
What is the InChIKey of 6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one?
The InChIKey is OKDWTVROULXIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-11(6-2)13-10(4)8-7-9(3)12(13)14/h10-11H,3,5-8H2,1-2,4H3.
What are the key properties of 6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one?
6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-methylidene-1-pentan-3-ylpiperidin-2-one is sourced from PubChem (CID 102384804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).