2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide

C10H17NO2 — CID 59876584

IUPAC2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(C)(C)C1CO1
InChIInChI=1S/C10H17NO2/c1-7(2)9(12)11-6-10(3,4)8-5-13-8/h8H,1,5-6H2,2-4H3,(H,11,12)
InChIKeyCPWNYAKKMJYAHF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.10
Rot. Bonds4

About 2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide

2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide (PubChem CID 59876584) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide
PubChem CID59876584
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(C)(C)C1CO1
InChIInChI=1S/C10H17NO2/c1-7(2)9(12)11-6-10(3,4)8-5-13-8/h8H,1,5-6H2,2-4H3,(H,11,12)
InChIKeyCPWNYAKKMJYAHF-UHFFFAOYSA-N
XLogP1.10
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.10
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 2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide (CID 59876584) is 2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide is C=C(C)C(=O)NCC(C)(C)C1CO1.
What is the InChIKey of 2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide?
The InChIKey is CPWNYAKKMJYAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)9(12)11-6-10(3,4)8-5-13-8/h8H,1,5-6H2,2-4H3,(H,11,12).
What are the key properties of 2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide?
2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-2-(oxiran-2-yl)propyl]prop-2-enamide is sourced from PubChem (CID 59876584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).