2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide

C8H13NO2 — CID 134349820

IUPAC2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide
SMILESCC1OC1(CC1CC1)C(N)=O
InChIInChI=1S/C8H13NO2/c1-5-8(11-5,7(9)10)4-6-2-3-6/h5-6H,2-4H2,1H3,(H2,9,10)
InChIKeyKMXHMHYAVVSQTR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.43
Rot. Bonds3

About 2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide

2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide (PubChem CID 134349820) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide
PubChem CID134349820
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide
SMILESCC1OC1(CC1CC1)C(N)=O
InChIInChI=1S/C8H13NO2/c1-5-8(11-5,7(9)10)4-6-2-3-6/h5-6H,2-4H2,1H3,(H2,9,10)
InChIKeyKMXHMHYAVVSQTR-UHFFFAOYSA-N
XLogP0.43
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyloxirane-2-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide (CID 134349820) is 2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide is CC1OC1(CC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide?
The InChIKey is KMXHMHYAVVSQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-8(11-5,7(9)10)4-6-2-3-6/h5-6H,2-4H2,1H3,(H2,9,10).
What are the key properties of 2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide?
2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide has a molecular weight of 155.20 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-methyloxirane-2-carboxamide is sourced from PubChem (CID 134349820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).