N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide

C9H14BrNO2 — CID 130654779

IUPACN-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC1COCC1Br
InChIInChI=1S/C9H14BrNO2/c1-5-2-6(5)9(12)11-8-4-13-3-7(8)10/h5-8H,2-4H2,1H3,(H,11,12)
InChIKeyYVWUUCJGGGQCTM-UHFFFAOYSA-N
MW248.12 g/mol
LogP0.92
Rot. Bonds2

About N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide

N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 130654779) has the molecular formula C9H14BrNO2 and a molecular weight of 248.12 g/mol. Its IUPAC name is N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID130654779
Molecular FormulaC9H14BrNO2
Molecular Weight248.12 g/mol
Exact Mass247.02
IUPAC NameN-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC1COCC1Br
InChIInChI=1S/C9H14BrNO2/c1-5-2-6(5)9(12)11-8-4-13-3-7(8)10/h5-8H,2-4H2,1H3,(H,11,12)
InChIKeyYVWUUCJGGGQCTM-UHFFFAOYSA-N
XLogP0.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide (CID 130654779) is N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NC1COCC1Br.
What is the InChIKey of N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is YVWUUCJGGGQCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2/c1-5-2-6(5)9(12)11-8-4-13-3-7(8)10/h5-8H,2-4H2,1H3,(H,11,12).
What are the key properties of N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide?
N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 248.12 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromooxolan-3-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130654779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).