methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one

C10H19NO — CID 145271377

IUPACmethane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one
SMILESC.C=CC(=O)N1CCCC(C)C1
InChIInChI=1S/C9H15NO.CH4/c1-3-9(11)10-6-4-5-8(2)7-10;/h3,8H,1,4-7H2,2H3;1H4
InChIKeyOQMUGGPUZNHCOL-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds1

About methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one

methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 145271377) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Namemethane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one
PubChem CID145271377
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Namemethane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one
SMILESC.C=CC(=O)N1CCCC(C)C1
InChIInChI=1S/C9H15NO.CH4/c1-3-9(11)10-6-4-5-8(2)7-10;/h3,8H,1,4-7H2,2H3;1H4
InChIKeyOQMUGGPUZNHCOL-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Acryloylpiperidine
CID 350473
2-Fluoro-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 118426223
4,4-Difluoro-1-(3-methylpiperidin-1-yl)but-2-en-1-one
CID 123149243
(E)-1-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 129174477
(E)-4-(dimethylamino)-1-(4-fluoro-3-methylpiperidin-1-yl)but-2-en-1-one
CID 129178331
(E)-1-(3,3-difluoro-5-methylpiperidin-1-yl)-4-(dimethylamino)but-2-en-1-one
CID 129178346
2-fluoro-1-[(3S)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 138538939
2-Fluoro-1-(3-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 138539043
2-fluoro-1-[(3R)-3-propan-2-ylpiperidin-1-yl]prop-2-en-1-one
CID 141653272
2-fluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]prop-2-en-1-one
CID 141653274
(E)-4,4,4-trifluoro-1-(3-methylpiperidin-1-yl)but-2-en-1-one
CID 144571727
(E)-4,4-difluoro-1-(3-methylpiperidin-1-yl)but-2-en-1-one
CID 144618638

Frequently Asked Questions

What is the IUPAC name of methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one (CID 145271377) is methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one is C.C=CC(=O)N1CCCC(C)C1.
What is the InChIKey of methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is OQMUGGPUZNHCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.CH4/c1-3-9(11)10-6-4-5-8(2)7-10;/h3,8H,1,4-7H2,2H3;1H4.
What are the key properties of methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one?
methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 169.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 145271377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).