1-methyl-5-(prop-2-enylamino)piperidin-2-one

C9H16N2O — CID 64656943

IUPAC1-methyl-5-(prop-2-enylamino)piperidin-2-one
SMILESC=CCNC1CCC(=O)N(C)C1
InChIInChI=1S/C9H16N2O/c1-3-6-10-8-4-5-9(12)11(2)7-8/h3,8,10H,1,4-7H2,2H3
InChIKeyWOKKIQVSVDPYAW-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds3

About 1-methyl-5-(prop-2-enylamino)piperidin-2-one

1-methyl-5-(prop-2-enylamino)piperidin-2-one (PubChem CID 64656943) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methyl-5-(prop-2-enylamino)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(prop-2-enylamino)piperidin-2-one
PubChem CID64656943
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-methyl-5-(prop-2-enylamino)piperidin-2-one
SMILESC=CCNC1CCC(=O)N(C)C1
InChIInChI=1S/C9H16N2O/c1-3-6-10-8-4-5-9(12)11(2)7-8/h3,8,10H,1,4-7H2,2H3
InChIKeyWOKKIQVSVDPYAW-UHFFFAOYSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.38
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

2-Piperidinone, 5-amino-1-(1-methylethyl)-
CID 54592545
(2S)-2-acetamido-N-prop-2-enylpentanediamide
CID 165430627
2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 3229462
1-[4-(Prop-2-enylamino)piperidin-1-yl]ethanone
CID 43222826
5-(3-Fluoropropylamino)-1-methylpiperidin-2-one
CID 81106343
(E)-N-(1-methyl-6-oxopiperidin-3-yl)-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide
CID 154874522
2,5-dihydropyrrol-1-yl-[(2S)-piperidin-2-yl]methanone
CID 15020430
N-Allyl-N-(4-piperidinyl)acetamide
CID 23369956
N-prop-2-enylpiperidine-2-carboxamide
CID 24694421
N,N-bis(prop-2-enyl)piperidine-2-carboxamide
CID 24711394
2-(4-aminopiperidin-1-yl)-N-prop-2-enylacetamide
CID 43556590
(3S)-3-ethyl-1-prop-2-enylpiperazin-2-one
CID 53695096

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(prop-2-enylamino)piperidin-2-one?
The IUPAC name of 1-methyl-5-(prop-2-enylamino)piperidin-2-one (CID 64656943) is 1-methyl-5-(prop-2-enylamino)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(prop-2-enylamino)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(prop-2-enylamino)piperidin-2-one is C=CCNC1CCC(=O)N(C)C1.
What is the InChIKey of 1-methyl-5-(prop-2-enylamino)piperidin-2-one?
The InChIKey is WOKKIQVSVDPYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-6-10-8-4-5-9(12)11(2)7-8/h3,8,10H,1,4-7H2,2H3.
What are the key properties of 1-methyl-5-(prop-2-enylamino)piperidin-2-one?
1-methyl-5-(prop-2-enylamino)piperidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(prop-2-enylamino)piperidin-2-one is sourced from PubChem (CID 64656943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).