1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one

C10H18N2O — CID 103073008

IUPAC1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one
SMILESC=C(CN)CN1CCCC(C)C1=O
InChIInChI=1S/C10H18N2O/c1-8(6-11)7-12-5-3-4-9(2)10(12)13/h9H,1,3-7,11H2,2H3
InChIKeyAHPOWDOWJVDGCC-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.76
Rot. Bonds3

About 1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one

1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one (PubChem CID 103073008) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one
PubChem CID103073008
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one
SMILESC=C(CN)CN1CCCC(C)C1=O
InChIInChI=1S/C10H18N2O/c1-8(6-11)7-12-5-3-4-9(2)10(12)13/h9H,1,3-7,11H2,2H3
InChIKeyAHPOWDOWJVDGCC-UHFFFAOYSA-N
XLogP0.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one
CID 131197806
ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate
CID 104679887
1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one
CID 104751665
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
3-(3-methyl-2-oxopiperidin-1-yl)propanethioamide
CID 104680130
2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679897
1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one
CID 104679826
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide
CID 104680132
1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one
CID 104679988
5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid
CID 104679844
3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione
CID 103071713

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one (CID 103073008) is 1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one is C=C(CN)CN1CCCC(C)C1=O.
What is the InChIKey of 1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one?
The InChIKey is AHPOWDOWJVDGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(6-11)7-12-5-3-4-9(2)10(12)13/h9H,1,3-7,11H2,2H3.
What are the key properties of 1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one?
1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 103073008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).