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

C10H15NO3 — CID 18188385

IUPAC2-methyl-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC1CO1)CC1CO1
InChIInChI=1S/C10H15NO3/c1-7(2)10(12)11(3-8-5-13-8)4-9-6-14-9/h8-9H,1,3-6H2,2H3
InChIKeySXXWNCNXSWHLQO-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.19
Rot. Bonds5

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

2-methyl-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide (PubChem CID 18188385) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-methyl-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide
PubChem CID18188385
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-methyl-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC1CO1)CC1CO1
InChIInChI=1S/C10H15NO3/c1-7(2)10(12)11(3-8-5-13-8)4-9-6-14-9/h8-9H,1,3-6H2,2H3
InChIKeySXXWNCNXSWHLQO-UHFFFAOYSA-N
XLogP0.19
TPSA45.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.19
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(oxiran-2-ylmethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide (CID 18188385) is 2-methyl-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide is C=C(C)C(=O)N(CC1CO1)CC1CO1.
What is the InChIKey of 2-methyl-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide?
The InChIKey is SXXWNCNXSWHLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)10(12)11(3-8-5-13-8)4-9-6-14-9/h8-9H,1,3-6H2,2H3.
What are the key properties of 2-methyl-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide?
2-methyl-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide has a molecular weight of 197.23 g/mol, XLogP of 0.19, 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(oxiran-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 18188385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).