N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide

C11H18BrNO2 — CID 114313897

IUPACN-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1CCCC1Br)C1CCOC1
InChIInChI=1S/C11H18BrNO2/c12-10-3-1-2-8(10)6-13-11(14)9-4-5-15-7-9/h8-10H,1-7H2,(H,13,14)
InChIKeyOJMDARAMUZUNOE-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.70
Rot. Bonds3

About N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide

N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide (PubChem CID 114313897) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide
PubChem CID114313897
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC NameN-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1CCCC1Br)C1CCOC1
InChIInChI=1S/C11H18BrNO2/c12-10-3-1-2-8(10)6-13-11(14)9-4-5-15-7-9/h8-10H,1-7H2,(H,13,14)
InChIKeyOJMDARAMUZUNOE-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.70
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-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 114317134
N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 64911747
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]oxolane-3-carboxamide
CID 146074749
N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 114313834
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894271
N-[(6-methylpiperidin-2-yl)methyl]oxolane-3-carboxamide
CID 62323168
N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
CID 79039521
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
CID 61276568
N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 61271600
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide (CID 114313897) is N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide is O=C(NCC1CCCC1Br)C1CCOC1.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide?
The InChIKey is OJMDARAMUZUNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c12-10-3-1-2-8(10)6-13-11(14)9-4-5-15-7-9/h8-10H,1-7H2,(H,13,14).
What are the key properties of N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide?
N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide has a molecular weight of 276.17 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 114313897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).