(4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one

C11H17NO — CID 142881457

IUPAC(4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one
SMILESC=C1CN(C)C(C)C(=O)/C1=C/CC
InChIInChI=1S/C11H17NO/c1-5-6-10-8(2)7-12(4)9(3)11(10)13/h6,9H,2,5,7H2,1,3-4H3/b10-6+
InChIKeyVBTZCTIQSCTOSN-UXBLZVDNSA-N
MW179.26 g/mol
LogP1.78
Rot. Bonds1

About (4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one

(4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one (PubChem CID 142881457) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one.

Molecular Properties

Compound Name(4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one
PubChem CID142881457
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one
SMILESC=C1CN(C)C(C)C(=O)/C1=C/CC
InChIInChI=1S/C11H17NO/c1-5-6-10-8(2)7-12(4)9(3)11(10)13/h6,9H,2,5,7H2,1,3-4H3/b10-6+
InChIKeyVBTZCTIQSCTOSN-UXBLZVDNSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one
CID 101478101
1-ethyl-4,5-dimethylpiperazin-2-one
CID 156824665
(3E)-1-methyl-3-propylideneindol-2-one
CID 58101344
(2R)-2-ethyl-1-methyl-4-methylidenepyrrolidine
CID 89010879
1,6-dimethyl-4-propylpiperazin-2-one
CID 59261527
(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one
CID 144547297
3-ethyl-1,4-dimethyl-2-methylideneimidazolidine
CID 151869152
(4R)-1-ethyl-3,4-dimethylimidazolidin-2-one
CID 178098960
2-methyl-1-(2-methylpropyl)azetidin-3-one
CID 45087894
(3E)-1-methyl-4-methylidene-3-[(Z)-2-propan-2-ylbut-2-enylidene]pyrrolidin-2-one
CID 145305760
4,6-dimethyl-2-methylidenecyclohexane-1,3-dione
CID 70519866
(5R)-5-ethyl-1-methylpiperidin-2-one
CID 170386664

Frequently Asked Questions

What is the IUPAC name of (4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one?
The IUPAC name of (4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one (CID 142881457) is (4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one.
What is the SMILES notation for (4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one?
The canonical SMILES for (4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one is C=C1CN(C)C(C)C(=O)/C1=C/CC.
What is the InChIKey of (4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one?
The InChIKey is VBTZCTIQSCTOSN-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-6-10-8(2)7-12(4)9(3)11(10)13/h6,9H,2,5,7H2,1,3-4H3/b10-6+.
What are the key properties of (4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one?
(4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one has a molecular weight of 179.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1,2-dimethyl-5-methylidene-4-propylidenepiperidin-3-one is sourced from PubChem (CID 142881457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).