(6E)-1,4-dimethyl-6-propylidenepiperidin-2-one

C10H17NO — CID 142829757

IUPAC(6E)-1,4-dimethyl-6-propylidenepiperidin-2-one
SMILESCC/C=C1\CC(C)CC(=O)N1C
InChIInChI=1S/C10H17NO/c1-4-5-9-6-8(2)7-10(12)11(9)3/h5,8H,4,6-7H2,1-3H3/b9-5+
InChIKeyKYOSLOFCTPMSDU-WEVVVXLNSA-N
MW167.25 g/mol
LogP2.17
Rot. Bonds1

About (6E)-1,4-dimethyl-6-propylidenepiperidin-2-one

(6E)-1,4-dimethyl-6-propylidenepiperidin-2-one (PubChem CID 142829757) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (6E)-1,4-dimethyl-6-propylidenepiperidin-2-one.

Molecular Properties

Compound Name(6E)-1,4-dimethyl-6-propylidenepiperidin-2-one
PubChem CID142829757
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(6E)-1,4-dimethyl-6-propylidenepiperidin-2-one
SMILESCC/C=C1\CC(C)CC(=O)N1C
InChIInChI=1S/C10H17NO/c1-4-5-9-6-8(2)7-10(12)11(9)3/h5,8H,4,6-7H2,1-3H3/b9-5+
InChIKeyKYOSLOFCTPMSDU-WEVVVXLNSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E)-1,4-dimethyl-6-propylidenepiperidin-2-one?
The IUPAC name of (6E)-1,4-dimethyl-6-propylidenepiperidin-2-one (CID 142829757) is (6E)-1,4-dimethyl-6-propylidenepiperidin-2-one.
What is the SMILES notation for (6E)-1,4-dimethyl-6-propylidenepiperidin-2-one?
The canonical SMILES for (6E)-1,4-dimethyl-6-propylidenepiperidin-2-one is CC/C=C1\CC(C)CC(=O)N1C.
What is the InChIKey of (6E)-1,4-dimethyl-6-propylidenepiperidin-2-one?
The InChIKey is KYOSLOFCTPMSDU-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-9-6-8(2)7-10(12)11(9)3/h5,8H,4,6-7H2,1-3H3/b9-5+.
What are the key properties of (6E)-1,4-dimethyl-6-propylidenepiperidin-2-one?
(6E)-1,4-dimethyl-6-propylidenepiperidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-1,4-dimethyl-6-propylidenepiperidin-2-one is sourced from PubChem (CID 142829757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).