methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one

C10H19NO — CID 166466257

IUPACmethane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one
SMILESC.C=CC(=O)N1CCCCC1C
InChIInChI=1S/C9H15NO.CH4/c1-3-9(11)10-7-5-4-6-8(10)2;/h3,8H,1,4-7H2,2H3;1H4
InChIKeyCCKUPHLVZGYDPP-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds1

About methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one

methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 166466257) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Namemethane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one
PubChem CID166466257
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Namemethane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one
SMILESC.C=CC(=O)N1CCCCC1C
InChIInChI=1S/C9H15NO.CH4/c1-3-9(11)10-7-5-4-6-8(10)2;/h3,8H,1,4-7H2,2H3;1H4
InChIKeyCCKUPHLVZGYDPP-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157325729
CID 157325729
1-(2-methylpiperidin-1-yl)but-2-en-1-one
CID 78907190
1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one
CID 138700109
N-ethenyl-2-methylpiperidine-1-carboxamide
CID 108909188
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid
CID 130979256
ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone)
CID 159317096
methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 145271377
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114
1-[(2S,5R)-2,5-dimethylpiperidin-1-yl]prop-2-en-1-one;ethane
CID 161369093

Frequently Asked Questions

What is the IUPAC name of methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one (CID 166466257) is methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one is C.C=CC(=O)N1CCCCC1C.
What is the InChIKey of methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is CCKUPHLVZGYDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.CH4/c1-3-9(11)10-7-5-4-6-8(10)2;/h3,8H,1,4-7H2,2H3;1H4.
What are the key properties of methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one?
methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 169.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 166466257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).