N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide

C10H16BrNO3 — CID 130751487

IUPACN-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NC1COCC1Br
InChIInChI=1S/C10H16BrNO3/c1-6-2-3-15-9(6)10(13)12-8-5-14-4-7(8)11/h6-9H,2-5H2,1H3,(H,12,13)
InChIKeyPJOUULKUEOIYFT-UHFFFAOYSA-N
MW278.15 g/mol
LogP0.69
Rot. Bonds2

About N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide

N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide (PubChem CID 130751487) has the molecular formula C10H16BrNO3 and a molecular weight of 278.15 g/mol. Its IUPAC name is N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide
PubChem CID130751487
Molecular FormulaC10H16BrNO3
Molecular Weight278.15 g/mol
Exact Mass277.03
IUPAC NameN-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NC1COCC1Br
InChIInChI=1S/C10H16BrNO3/c1-6-2-3-15-9(6)10(13)12-8-5-14-4-7(8)11/h6-9H,2-5H2,1H3,(H,12,13)
InChIKeyPJOUULKUEOIYFT-UHFFFAOYSA-N
XLogP0.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide (CID 130751487) is N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)NC1COCC1Br.
What is the InChIKey of N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide?
The InChIKey is PJOUULKUEOIYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3/c1-6-2-3-15-9(6)10(13)12-8-5-14-4-7(8)11/h6-9H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide?
N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide has a molecular weight of 278.15 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromooxolan-3-yl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 130751487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).