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

C11H19NO2 — CID 134349814

IUPAC2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide
SMILESCC(C)CC1OC1(CC1CC1)C(N)=O
InChIInChI=1S/C11H19NO2/c1-7(2)5-9-11(14-9,10(12)13)6-8-3-4-8/h7-9H,3-6H2,1-2H3,(H2,12,13)
InChIKeyNKDPDEKONRJAON-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.46
Rot. Bonds5

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

2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide (PubChem CID 134349814) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide
PubChem CID134349814
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide
SMILESCC(C)CC1OC1(CC1CC1)C(N)=O
InChIInChI=1S/C11H19NO2/c1-7(2)5-9-11(14-9,10(12)13)6-8-3-4-8/h7-9H,3-6H2,1-2H3,(H2,12,13)
InChIKeyNKDPDEKONRJAON-UHFFFAOYSA-N
XLogP1.46
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.46
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-(2-methylpropyl)oxirane-2-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide (CID 134349814) is 2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide is CC(C)CC1OC1(CC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide?
The InChIKey is NKDPDEKONRJAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)5-9-11(14-9,10(12)13)6-8-3-4-8/h7-9H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide?
2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide is sourced from PubChem (CID 134349814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).