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

C8H12N2O2 — CID 62092726

IUPACN-(2-oxopiperidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCCNC1=O
InChIInChI=1S/C8H12N2O2/c1-2-7(11)10-6-4-3-5-9-8(6)12/h2,6H,1,3-5H2,(H,9,12)(H,10,11)
InChIKeyYSFIYOWZDQPVLV-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.43
Rot. Bonds2

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

N-(2-oxopiperidin-3-yl)prop-2-enamide (PubChem CID 62092726) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)prop-2-enamide
PubChem CID62092726
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(2-oxopiperidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCCNC1=O
InChIInChI=1S/C8H12N2O2/c1-2-7(11)10-6-4-3-5-9-8(6)12/h2,6H,1,3-5H2,(H,9,12)(H,10,11)
InChIKeyYSFIYOWZDQPVLV-UHFFFAOYSA-N
XLogP-0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.43
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 N-(2-oxopiperidin-3-yl)prop-2-enamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)prop-2-enamide (CID 62092726) is N-(2-oxopiperidin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)prop-2-enamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)prop-2-enamide is C=CC(=O)NC1CCCNC1=O.
What is the InChIKey of N-(2-oxopiperidin-3-yl)prop-2-enamide?
The InChIKey is YSFIYOWZDQPVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-7(11)10-6-4-3-5-9-8(6)12/h2,6H,1,3-5H2,(H,9,12)(H,10,11).
What are the key properties of N-(2-oxopiperidin-3-yl)prop-2-enamide?
N-(2-oxopiperidin-3-yl)prop-2-enamide has a molecular weight of 168.20 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)prop-2-enamide is sourced from PubChem (CID 62092726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).