2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one

C11H19NO — CID 118683602

IUPAC2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one
SMILESC=C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C11H19NO/c1-9-5-7-12(8-6-9)10(13)11(2,3)4/h1,5-8H2,2-4H3
InChIKeySMTXISNUCGSUBV-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds

About 2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one

2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one (PubChem CID 118683602) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one
PubChem CID118683602
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one
SMILESC=C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C11H19NO/c1-9-5-7-12(8-6-9)10(13)11(2,3)4/h1,5-8H2,2-4H3
InChIKeySMTXISNUCGSUBV-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
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 2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one (CID 118683602) is 2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one is C=C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The InChIKey is SMTXISNUCGSUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-5-7-12(8-6-9)10(13)11(2,3)4/h1,5-8H2,2-4H3.
What are the key properties of 2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one?
2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylidenepiperidin-1-yl)propan-1-one is sourced from PubChem (CID 118683602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).