N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide

C9H15NO2 — CID 88654252

IUPACN-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(CC1(C)CO1)C(C)=O
InChIInChI=1S/C9H15NO2/c1-4-5-10(8(2)11)6-9(3)7-12-9/h4H,1,5-7H2,2-3H3
InChIKeyPFDFUSFBVKLWSR-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds4

About N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide

N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide (PubChem CID 88654252) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide
PubChem CID88654252
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(CC1(C)CO1)C(C)=O
InChIInChI=1S/C9H15NO2/c1-4-5-10(8(2)11)6-9(3)7-12-9/h4H,1,5-7H2,2-3H3
InChIKeyPFDFUSFBVKLWSR-UHFFFAOYSA-N
XLogP0.81
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide (CID 88654252) is N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide is C=CCN(CC1(C)CO1)C(C)=O.
What is the InChIKey of N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide?
The InChIKey is PFDFUSFBVKLWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-10(8(2)11)6-9(3)7-12-9/h4H,1,5-7H2,2-3H3.
What are the key properties of N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide?
N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide has a molecular weight of 169.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 88654252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).