2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide

C10H17NO3 — CID 134349666

IUPAC2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide
SMILESCOCCC1OC1(CC1CC1)C(N)=O
InChIInChI=1S/C10H17NO3/c1-13-5-4-8-10(14-8,9(11)12)6-7-2-3-7/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKeyZVKMBXOUGTUENV-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.45
Rot. Bonds6

About 2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide

2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide (PubChem CID 134349666) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide
PubChem CID134349666
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide
SMILESCOCCC1OC1(CC1CC1)C(N)=O
InChIInChI=1S/C10H17NO3/c1-13-5-4-8-10(14-8,9(11)12)6-7-2-3-7/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKeyZVKMBXOUGTUENV-UHFFFAOYSA-N
XLogP0.45
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide (CID 134349666) is 2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide is COCCC1OC1(CC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide?
The InChIKey is ZVKMBXOUGTUENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-5-4-8-10(14-8,9(11)12)6-7-2-3-7/h7-8H,2-6H2,1H3,(H2,11,12).
What are the key properties of 2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide?
2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-(2-methoxyethyl)oxirane-2-carboxamide is sourced from PubChem (CID 134349666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).