N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide

C13H22BrNO2 — CID 114317134

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide
SMILESO=C(NCC1CCCC1CBr)C1CCCOC1
InChIInChI=1S/C13H22BrNO2/c14-7-10-3-1-4-11(10)8-15-13(16)12-5-2-6-17-9-12/h10-12H,1-9H2,(H,15,16)
InChIKeyGHYBTTMBXLCJEH-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.34
Rot. Bonds4

About N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide

N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide (PubChem CID 114317134) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide
PubChem CID114317134
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide
SMILESO=C(NCC1CCCC1CBr)C1CCCOC1
InChIInChI=1S/C13H22BrNO2/c14-7-10-3-1-4-11(10)8-15-13(16)12-5-2-6-17-9-12/h10-12H,1-9H2,(H,15,16)
InChIKeyGHYBTTMBXLCJEH-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 64911747
N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide
CID 114313897
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210
2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
CID 79457821
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184223
N-[2-(chloromethyl)cyclopentyl]oxane-3-carboxamide
CID 106365863
N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide
CID 114317286
N-(4-iodobutyl)oxane-3-carboxamide
CID 106846215
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 111115377
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide (CID 114317134) is N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide is O=C(NCC1CCCC1CBr)C1CCCOC1.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide?
The InChIKey is GHYBTTMBXLCJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c14-7-10-3-1-4-11(10)8-15-13(16)12-5-2-6-17-9-12/h10-12H,1-9H2,(H,15,16).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide has a molecular weight of 304.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide is sourced from PubChem (CID 114317134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).