N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide

C9H15NO2 — CID 134349554

IUPACN-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide
SMILESCC1OC1C(=O)NCC1CCC1
InChIInChI=1S/C9H15NO2/c1-6-8(12-6)9(11)10-5-7-3-2-4-7/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeySZPVUSOFEHFYRR-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.69
Rot. Bonds3

About N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide

N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide (PubChem CID 134349554) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide
PubChem CID134349554
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide
SMILESCC1OC1C(=O)NCC1CCC1
InChIInChI=1S/C9H15NO2/c1-6-8(12-6)9(11)10-5-7-3-2-4-7/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeySZPVUSOFEHFYRR-UHFFFAOYSA-N
XLogP0.69
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.69
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 N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide (CID 134349554) is N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide is CC1OC1C(=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide?
The InChIKey is SZPVUSOFEHFYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-8(12-6)9(11)10-5-7-3-2-4-7/h6-8H,2-5H2,1H3,(H,10,11).
What are the key properties of N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide?
N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide is sourced from PubChem (CID 134349554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).