N-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide

C9H15NO2 — CID 88654513

IUPACN-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CC1CO1)C(=O)CC
InChIInChI=1S/C9H15NO2/c1-3-5-10(9(11)4-2)6-8-7-12-8/h3,8H,1,4-7H2,2H3
InChIKeyXBSQVQDRMBYJRV-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds5

About N-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide

N-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide (PubChem CID 88654513) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide
PubChem CID88654513
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CC1CO1)C(=O)CC
InChIInChI=1S/C9H15NO2/c1-3-5-10(9(11)4-2)6-8-7-12-8/h3,8H,1,4-7H2,2H3
InChIKeyXBSQVQDRMBYJRV-UHFFFAOYSA-N
XLogP0.81
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide?
The IUPAC name of N-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide (CID 88654513) is N-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for N-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide?
The canonical SMILES for N-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide is C=CCN(CC1CO1)C(=O)CC.
What is the InChIKey of N-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide?
The InChIKey is XBSQVQDRMBYJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-5-10(9(11)4-2)6-8-7-12-8/h3,8H,1,4-7H2,2H3.
What are the key properties of N-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide?
N-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide has a molecular weight of 169.22 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 88654513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).