N-(2-oxopiperidin-1-yl)prop-2-enamide

C8H12N2O2 — CID 130991351

IUPACN-(2-oxopiperidin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1CCCCC1=O
InChIInChI=1S/C8H12N2O2/c1-2-7(11)9-10-6-4-3-5-8(10)12/h2H,1,3-6H2,(H,9,11)
InChIKeyOCKLARMFQDIHMJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.22
Rot. Bonds2

About N-(2-oxopiperidin-1-yl)prop-2-enamide

N-(2-oxopiperidin-1-yl)prop-2-enamide (PubChem CID 130991351) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(2-oxopiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-1-yl)prop-2-enamide
PubChem CID130991351
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(2-oxopiperidin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1CCCCC1=O
InChIInChI=1S/C8H12N2O2/c1-2-7(11)9-10-6-4-3-5-8(10)12/h2H,1,3-6H2,(H,9,11)
InChIKeyOCKLARMFQDIHMJ-UHFFFAOYSA-N
XLogP0.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(Piperidin-1-yl)prop-2-enamide
CID 23034650
N-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]prop-2-enamide
CID 175270407
1-Prop-2-enoyldiazinan-3-one
CID 70449076
5-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanehydrazide
CID 71607325
2-(5-oxohexyl)-1H-pyridazine-3,6-dione
CID 62019186
5-(3,6-dioxo-1H-pyridazin-2-yl)pentanehydrazide
CID 63573746
(E)-N-(2-oxopiperidin-1-yl)but-2-enamide
CID 131237368

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-1-yl)prop-2-enamide?
The IUPAC name of N-(2-oxopiperidin-1-yl)prop-2-enamide (CID 130991351) is N-(2-oxopiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for N-(2-oxopiperidin-1-yl)prop-2-enamide?
The canonical SMILES for N-(2-oxopiperidin-1-yl)prop-2-enamide is C=CC(=O)NN1CCCCC1=O.
What is the InChIKey of N-(2-oxopiperidin-1-yl)prop-2-enamide?
The InChIKey is OCKLARMFQDIHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-7(11)9-10-6-4-3-5-8(10)12/h2H,1,3-6H2,(H,9,11).
What are the key properties of N-(2-oxopiperidin-1-yl)prop-2-enamide?
N-(2-oxopiperidin-1-yl)prop-2-enamide has a molecular weight of 168.20 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 130991351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).