1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide

C8H13NO2 — CID 163434471

IUPAC1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide
SMILESCC1OC1C1(C(N)=O)CCC1
InChIInChI=1S/C8H13NO2/c1-5-6(11-5)8(7(9)10)3-2-4-8/h5-6H,2-4H2,1H3,(H2,9,10)
InChIKeyATGUQKUVXPKDGB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.43
Rot. Bonds2

About 1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide

1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide (PubChem CID 163434471) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide
PubChem CID163434471
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide
SMILESCC1OC1C1(C(N)=O)CCC1
InChIInChI=1S/C8H13NO2/c1-5-6(11-5)8(7(9)10)3-2-4-8/h5-6H,2-4H2,1H3,(H2,9,10)
InChIKeyATGUQKUVXPKDGB-UHFFFAOYSA-N
XLogP0.43
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide (CID 163434471) is 1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide is CC1OC1C1(C(N)=O)CCC1.
What is the InChIKey of 1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide?
The InChIKey is ATGUQKUVXPKDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-6(11-5)8(7(9)10)3-2-4-8/h5-6H,2-4H2,1H3,(H2,9,10).
What are the key properties of 1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide?
1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide has a molecular weight of 155.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 163434471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).