2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide

C12H19NO3 — CID 88654166

IUPAC2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide
SMILESC=C(C)C(=O)N(CC1(C)CO1)CC1(C)CO1
InChIInChI=1S/C12H19NO3/c1-9(2)10(14)13(5-11(3)7-15-11)6-12(4)8-16-12/h1,5-8H2,2-4H3
InChIKeyYOKYVUCBURVQGA-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.97
Rot. Bonds5

About 2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide

2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide (PubChem CID 88654166) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide
PubChem CID88654166
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide
SMILESC=C(C)C(=O)N(CC1(C)CO1)CC1(C)CO1
InChIInChI=1S/C12H19NO3/c1-9(2)10(14)13(5-11(3)7-15-11)6-12(4)8-16-12/h1,5-8H2,2-4H3
InChIKeyYOKYVUCBURVQGA-UHFFFAOYSA-N
XLogP0.97
TPSA45.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide?
The IUPAC name of 2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide (CID 88654166) is 2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide is C=C(C)C(=O)N(CC1(C)CO1)CC1(C)CO1.
What is the InChIKey of 2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide?
The InChIKey is YOKYVUCBURVQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(2)10(14)13(5-11(3)7-15-11)6-12(4)8-16-12/h1,5-8H2,2-4H3.
What are the key properties of 2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide?
2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide has a molecular weight of 225.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis[(2-methyloxiran-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 88654166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).