N-(2-methyloxolan-3-yl)azetidine-1-carboxamide

C9H16N2O2 — CID 126999523

IUPACN-(2-methyloxolan-3-yl)azetidine-1-carboxamide
SMILESCC1OCCC1NC(=O)N1CCC1
InChIInChI=1S/C9H16N2O2/c1-7-8(3-6-13-7)10-9(12)11-4-2-5-11/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyJIXCGLMPJMYQCP-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds1

About N-(2-methyloxolan-3-yl)azetidine-1-carboxamide

N-(2-methyloxolan-3-yl)azetidine-1-carboxamide (PubChem CID 126999523) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)azetidine-1-carboxamide
PubChem CID126999523
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(2-methyloxolan-3-yl)azetidine-1-carboxamide
SMILESCC1OCCC1NC(=O)N1CCC1
InChIInChI=1S/C9H16N2O2/c1-7-8(3-6-13-7)10-9(12)11-4-2-5-11/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyJIXCGLMPJMYQCP-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)azetidine-1-carboxamide?
The IUPAC name of N-(2-methyloxolan-3-yl)azetidine-1-carboxamide (CID 126999523) is N-(2-methyloxolan-3-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(2-methyloxolan-3-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(2-methyloxolan-3-yl)azetidine-1-carboxamide is CC1OCCC1NC(=O)N1CCC1.
What is the InChIKey of N-(2-methyloxolan-3-yl)azetidine-1-carboxamide?
The InChIKey is JIXCGLMPJMYQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7-8(3-6-13-7)10-9(12)11-4-2-5-11/h7-8H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(2-methyloxolan-3-yl)azetidine-1-carboxamide?
N-(2-methyloxolan-3-yl)azetidine-1-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)azetidine-1-carboxamide is sourced from PubChem (CID 126999523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).