1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one

C15H26BrNO — CID 65001076

IUPAC1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one
SMILESCCC1CCC(=O)N(CC2(CBr)CCCC2)CC1
InChIInChI=1S/C15H26BrNO/c1-2-13-5-6-14(18)17(10-7-13)12-15(11-16)8-3-4-9-15/h13H,2-12H2,1H3
InChIKeyRKWLHYPMGLNRMV-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.98
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one

1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one (PubChem CID 65001076) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one
PubChem CID65001076
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one
SMILESCCC1CCC(=O)N(CC2(CBr)CCCC2)CC1
InChIInChI=1S/C15H26BrNO/c1-2-13-5-6-14(18)17(10-7-13)12-15(11-16)8-3-4-9-15/h13H,2-12H2,1H3
InChIKeyRKWLHYPMGLNRMV-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one (CID 65001076) is 1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one is CCC1CCC(=O)N(CC2(CBr)CCCC2)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one?
The InChIKey is RKWLHYPMGLNRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO/c1-2-13-5-6-14(18)17(10-7-13)12-15(11-16)8-3-4-9-15/h13H,2-12H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one?
1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one has a molecular weight of 316.28 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methyl]-5-ethylazepan-2-one is sourced from PubChem (CID 65001076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).