N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide

C11H18BrNO — CID 115647439

IUPACN-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1CCC(C)CC1
InChIInChI=1S/C11H18BrNO/c1-8-3-5-10(6-4-8)11(14)13-7-9(2)12/h8,10H,2-7H2,1H3,(H,13,14)
InChIKeyVXKSJHSNHYNIML-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.84
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide

N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 115647439) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide
PubChem CID115647439
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC NameN-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1CCC(C)CC1
InChIInChI=1S/C11H18BrNO/c1-8-3-5-10(6-4-8)11(14)13-7-9(2)12/h8,10H,2-7H2,1H3,(H,13,14)
InChIKeyVXKSJHSNHYNIML-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-difluoro-2-oxopropyl)-4-methylcyclohexane-1-carboxamide
CID 153456408
N-(2-bromoprop-2-enyl)-3-methyloxane-4-carboxamide
CID 130173977
4-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 81478709
N-(2-methylprop-2-enyl)cyclopentanecarboxamide
CID 91695769
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104917114
N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
CID 113351776
(3S)-N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95254623
2-(cyclopropanecarbonylamino)acetate
CID 6997226
N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide
CID 114149740
1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide
CID 59440307

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide (CID 115647439) is N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide is C=C(Br)CNC(=O)C1CCC(C)CC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is VXKSJHSNHYNIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-8-3-5-10(6-4-8)11(14)13-7-9(2)12/h8,10H,2-7H2,1H3,(H,13,14).
What are the key properties of N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide?
N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 260.17 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115647439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).