1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one

C13H21NO — CID 155131499

IUPAC1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one
SMILESC=CCCC(=O)C1(C)CCCN(C)C1=C
InChIInChI=1S/C13H21NO/c1-5-6-8-12(15)13(3)9-7-10-14(4)11(13)2/h5H,1-2,6-10H2,3-4H3
InChIKeyQUZXBGWCUMEOLE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.77
Rot. Bonds4

About 1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one

1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one (PubChem CID 155131499) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one
PubChem CID155131499
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one
SMILESC=CCCC(=O)C1(C)CCCN(C)C1=C
InChIInChI=1S/C13H21NO/c1-5-6-8-12(15)13(3)9-7-10-14(4)11(13)2/h5H,1-2,6-10H2,3-4H3
InChIKeyQUZXBGWCUMEOLE-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one?
The IUPAC name of 1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one (CID 155131499) is 1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one.
What is the SMILES notation for 1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one?
The canonical SMILES for 1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one is C=CCCC(=O)C1(C)CCCN(C)C1=C.
What is the InChIKey of 1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one?
The InChIKey is QUZXBGWCUMEOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-6-8-12(15)13(3)9-7-10-14(4)11(13)2/h5H,1-2,6-10H2,3-4H3.
What are the key properties of 1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one?
1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one is sourced from PubChem (CID 155131499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).