2-(1-bromoethenyl)-2-butylcyclononan-1-one

C15H25BrO — CID 102390500

IUPAC2-(1-bromoethenyl)-2-butylcyclononan-1-one
SMILESC=C(Br)C1(CCCC)CCCCCCCC1=O
InChIInChI=1S/C15H25BrO/c1-3-4-11-15(13(2)16)12-9-7-5-6-8-10-14(15)17/h2-12H2,1H3
InChIKeyMUNXDVYRVAKEJE-UHFFFAOYSA-N
MW301.27 g/mol
LogP5.39
Rot. Bonds4

About 2-(1-bromoethenyl)-2-butylcyclononan-1-one

2-(1-bromoethenyl)-2-butylcyclononan-1-one (PubChem CID 102390500) has the molecular formula C15H25BrO and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-(1-bromoethenyl)-2-butylcyclononan-1-one.

Molecular Properties

Compound Name2-(1-bromoethenyl)-2-butylcyclononan-1-one
PubChem CID102390500
Molecular FormulaC15H25BrO
Molecular Weight301.27 g/mol
Exact Mass300.11
IUPAC Name2-(1-bromoethenyl)-2-butylcyclononan-1-one
SMILESC=C(Br)C1(CCCC)CCCCCCCC1=O
InChIInChI=1S/C15H25BrO/c1-3-4-11-15(13(2)16)12-9-7-5-6-8-10-14(15)17/h2-12H2,1H3
InChIKeyMUNXDVYRVAKEJE-UHFFFAOYSA-N
XLogP5.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.27
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1-bromoethenyl)-2-butylcyclononan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-butyl-2-methylcyclohexan-1-one
CID 10080777
2-hydroxy-2-pentylcycloheptan-1-one
CID 12920406
ethyl 1-octyl-2-oxocyclopentane-1-carboxylate
CID 14921673
1-(3-methylbut-3-enyl)-2-oxocyclohexane-1-carboxylic acid
CID 103575013
ethyl 1-(bromomethyl)-2-oxocyclododecane-1-carboxylate
CID 14667295
2-ethylbut-2-enyl 2-oxo-1-pentylcyclopentane-1-carboxylate
CID 139728726
ethyl 1-ethyl-2-oxocyclododecane-1-carboxylate
CID 12013534
ethyl 1-ethyl-2-oxocycloheptane-1-carboxylate
CID 15074127
(2S)-2-decyl-2-methylcyclohexan-1-one
CID 102124069
diethyl 2-[2-(1-ethoxycarbonyl-2-oxocycloheptyl)ethyl]propanedioate
CID 100980818
methyl 2-oxo-1-propylcyclopentane-1-carboxylate
CID 10535487
ethyl 1-[(E)-4-(1-ethoxycarbonyl-2-oxocycloheptyl)but-2-enyl]-2-oxocycloheptane-1-carboxylate
CID 11154373

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethenyl)-2-butylcyclononan-1-one?
The IUPAC name of 2-(1-bromoethenyl)-2-butylcyclononan-1-one (CID 102390500) is 2-(1-bromoethenyl)-2-butylcyclononan-1-one.
What is the SMILES notation for 2-(1-bromoethenyl)-2-butylcyclononan-1-one?
The canonical SMILES for 2-(1-bromoethenyl)-2-butylcyclononan-1-one is C=C(Br)C1(CCCC)CCCCCCCC1=O.
What is the InChIKey of 2-(1-bromoethenyl)-2-butylcyclononan-1-one?
The InChIKey is MUNXDVYRVAKEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO/c1-3-4-11-15(13(2)16)12-9-7-5-6-8-10-14(15)17/h2-12H2,1H3.
What are the key properties of 2-(1-bromoethenyl)-2-butylcyclononan-1-one?
2-(1-bromoethenyl)-2-butylcyclononan-1-one has a molecular weight of 301.27 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethenyl)-2-butylcyclononan-1-one is sourced from PubChem (CID 102390500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).