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

C7H11NO2 — CID 87548655

IUPACN-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(C)CC1CO1
InChIInChI=1S/C7H11NO2/c1-3-7(9)8(2)4-6-5-10-6/h3,6H,1,4-5H2,2H3
InChIKeyQHDYZRDITXKYFI-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.03
Rot. Bonds3

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

N-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide (PubChem CID 87548655) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide
PubChem CID87548655
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(C)CC1CO1
InChIInChI=1S/C7H11NO2/c1-3-7(9)8(2)4-6-5-10-6/h3,6H,1,4-5H2,2H3
InChIKeyQHDYZRDITXKYFI-UHFFFAOYSA-N
XLogP0.03
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.03
H-Bond Donors ≤ 50
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-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide (CID 87548655) is N-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide is C=CC(=O)N(C)CC1CO1.
What is the InChIKey of N-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide?
The InChIKey is QHDYZRDITXKYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-7(9)8(2)4-6-5-10-6/h3,6H,1,4-5H2,2H3.
What are the key properties of N-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide?
N-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide has a molecular weight of 141.17 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxiran-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 87548655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).