2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide

C9H14N2O2 — CID 89007070

IUPAC2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CCCNC1=O
InChIInChI=1S/C9H14N2O2/c1-6(2)8(12)11-7-4-3-5-10-9(7)13/h7H,1,3-5H2,2H3,(H,10,13)(H,11,12)
InChIKeyQMWJQTSFMKOVHP-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.04
Rot. Bonds2

About 2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide

2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide (PubChem CID 89007070) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide
PubChem CID89007070
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CCCNC1=O
InChIInChI=1S/C9H14N2O2/c1-6(2)8(12)11-7-4-3-5-10-9(7)13/h7H,1,3-5H2,2H3,(H,10,13)(H,11,12)
InChIKeyQMWJQTSFMKOVHP-UHFFFAOYSA-N
XLogP-0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide (CID 89007070) is 2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide is C=C(C)C(=O)NC1CCCNC1=O.
What is the InChIKey of 2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide?
The InChIKey is QMWJQTSFMKOVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)8(12)11-7-4-3-5-10-9(7)13/h7H,1,3-5H2,2H3,(H,10,13)(H,11,12).
What are the key properties of 2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide?
2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide has a molecular weight of 182.22 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxopiperidin-3-yl)prop-2-enamide is sourced from PubChem (CID 89007070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).