3,3-dimethyl-1-prop-2-enylpiperidin-4-one

C10H17NO — CID 117024262

IUPAC3,3-dimethyl-1-prop-2-enylpiperidin-4-one
SMILESC=CCN1CCC(=O)C(C)(C)C1
InChIInChI=1S/C10H17NO/c1-4-6-11-7-5-9(12)10(2,3)8-11/h4H,1,5-8H2,2-3H3
InChIKeyGXQYEYBMPVRQKZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.47
Rot. Bonds2

About 3,3-dimethyl-1-prop-2-enylpiperidin-4-one

3,3-dimethyl-1-prop-2-enylpiperidin-4-one (PubChem CID 117024262) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3,3-dimethyl-1-prop-2-enylpiperidin-4-one.

Molecular Properties

Compound Name3,3-dimethyl-1-prop-2-enylpiperidin-4-one
PubChem CID117024262
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3,3-dimethyl-1-prop-2-enylpiperidin-4-one
SMILESC=CCN1CCC(=O)C(C)(C)C1
InChIInChI=1S/C10H17NO/c1-4-6-11-7-5-9(12)10(2,3)8-11/h4H,1,5-8H2,2-3H3
InChIKeyGXQYEYBMPVRQKZ-UHFFFAOYSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one
CID 159724836
2,2-dimethyl-4-prop-2-enylmorpholine
CID 70009484
2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid
CID 117013117
1-cyclopropyl-3,3-dimethylpiperidin-4-one
CID 117024261
5-bromo-1-prop-2-enylazepan-4-one
CID 46900987
1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one
CID 101375506
1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one
CID 69094065
4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one
CID 45088285
3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
CID 76851527
5,5-dimethyl-1-prop-2-enylpyrazolidin-3-one
CID 14812552
benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
CID 22278861
1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine
CID 117025043

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-prop-2-enylpiperidin-4-one?
The IUPAC name of 3,3-dimethyl-1-prop-2-enylpiperidin-4-one (CID 117024262) is 3,3-dimethyl-1-prop-2-enylpiperidin-4-one.
What is the SMILES notation for 3,3-dimethyl-1-prop-2-enylpiperidin-4-one?
The canonical SMILES for 3,3-dimethyl-1-prop-2-enylpiperidin-4-one is C=CCN1CCC(=O)C(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-prop-2-enylpiperidin-4-one?
The InChIKey is GXQYEYBMPVRQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-11-7-5-9(12)10(2,3)8-11/h4H,1,5-8H2,2-3H3.
What are the key properties of 3,3-dimethyl-1-prop-2-enylpiperidin-4-one?
3,3-dimethyl-1-prop-2-enylpiperidin-4-one has a molecular weight of 167.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-prop-2-enylpiperidin-4-one is sourced from PubChem (CID 117024262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).