N-(propan-2-yloxymethyl)oxirane-2-carboxamide

C7H13NO3 — CID 45084561

IUPACN-(propan-2-yloxymethyl)oxirane-2-carboxamide
SMILESCC(C)OCNC(=O)C1CO1
InChIInChI=1S/C7H13NO3/c1-5(2)11-4-8-7(9)6-3-10-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyKIBXNPZXDQEFNX-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.12
Rot. Bonds4

About N-(propan-2-yloxymethyl)oxirane-2-carboxamide

N-(propan-2-yloxymethyl)oxirane-2-carboxamide (PubChem CID 45084561) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-(propan-2-yloxymethyl)oxirane-2-carboxamide.

Molecular Properties

Compound NameN-(propan-2-yloxymethyl)oxirane-2-carboxamide
PubChem CID45084561
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-(propan-2-yloxymethyl)oxirane-2-carboxamide
SMILESCC(C)OCNC(=O)C1CO1
InChIInChI=1S/C7H13NO3/c1-5(2)11-4-8-7(9)6-3-10-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyKIBXNPZXDQEFNX-UHFFFAOYSA-N
XLogP-0.12
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(propan-2-yloxymethyl)oxirane-2-carboxamide?
The IUPAC name of N-(propan-2-yloxymethyl)oxirane-2-carboxamide (CID 45084561) is N-(propan-2-yloxymethyl)oxirane-2-carboxamide.
What is the SMILES notation for N-(propan-2-yloxymethyl)oxirane-2-carboxamide?
The canonical SMILES for N-(propan-2-yloxymethyl)oxirane-2-carboxamide is CC(C)OCNC(=O)C1CO1.
What is the InChIKey of N-(propan-2-yloxymethyl)oxirane-2-carboxamide?
The InChIKey is KIBXNPZXDQEFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(2)11-4-8-7(9)6-3-10-6/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-(propan-2-yloxymethyl)oxirane-2-carboxamide?
N-(propan-2-yloxymethyl)oxirane-2-carboxamide has a molecular weight of 159.18 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-yloxymethyl)oxirane-2-carboxamide is sourced from PubChem (CID 45084561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).