N-(oxiran-2-ylmethyl)prop-2-enamide

C6H9NO2 — CID 23508675

IUPACN-(oxiran-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1CO1
InChIInChI=1S/C6H9NO2/c1-2-6(8)7-3-5-4-9-5/h2,5H,1,3-4H2,(H,7,8)
InChIKeyPSCWDXZBRYGBDI-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.31
Rot. Bonds3

About N-(oxiran-2-ylmethyl)prop-2-enamide

N-(oxiran-2-ylmethyl)prop-2-enamide (PubChem CID 23508675) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)prop-2-enamide
PubChem CID23508675
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC NameN-(oxiran-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1CO1
InChIInChI=1S/C6H9NO2/c1-2-6(8)7-3-5-4-9-5/h2,5H,1,3-4H2,(H,7,8)
InChIKeyPSCWDXZBRYGBDI-UHFFFAOYSA-N
XLogP-0.31
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethyl)prop-2-enamide?
The IUPAC name of N-(oxiran-2-ylmethyl)prop-2-enamide (CID 23508675) is N-(oxiran-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(oxiran-2-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(oxiran-2-ylmethyl)prop-2-enamide is C=CC(=O)NCC1CO1.
What is the InChIKey of N-(oxiran-2-ylmethyl)prop-2-enamide?
The InChIKey is PSCWDXZBRYGBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-6(8)7-3-5-4-9-5/h2,5H,1,3-4H2,(H,7,8).
What are the key properties of N-(oxiran-2-ylmethyl)prop-2-enamide?
N-(oxiran-2-ylmethyl)prop-2-enamide has a molecular weight of 127.14 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 23508675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).