N-(2-bromoprop-2-enyl)hexanamide

C9H16BrNO — CID 115594432

IUPACN-(2-bromoprop-2-enyl)hexanamide
SMILESC=C(Br)CNC(=O)CCCCC
InChIInChI=1S/C9H16BrNO/c1-3-4-5-6-9(12)11-7-8(2)10/h2-7H2,1H3,(H,11,12)
InChIKeyAOSJDSNNNHLXOL-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.59
Rot. Bonds6

About N-(2-bromoprop-2-enyl)hexanamide

N-(2-bromoprop-2-enyl)hexanamide (PubChem CID 115594432) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)hexanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)hexanamide
PubChem CID115594432
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC NameN-(2-bromoprop-2-enyl)hexanamide
SMILESC=C(Br)CNC(=O)CCCCC
InChIInChI=1S/C9H16BrNO/c1-3-4-5-6-9(12)11-7-8(2)10/h2-7H2,1H3,(H,11,12)
InChIKeyAOSJDSNNNHLXOL-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(hydroxymethyl)henicosanamide
CID 102116485
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
disodium bis(2-(octadecanoylamino)acetate)
CID 141447181
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
copper bis(2-(octanoylamino)acetate)
CID 88618270
sodium 2-(decanoylamino)acetate
CID 23716190
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
magnesium bis(2-(dodecanoylamino)acetate)
CID 140975792
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)hexanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)hexanamide (CID 115594432) is N-(2-bromoprop-2-enyl)hexanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)hexanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)hexanamide is C=C(Br)CNC(=O)CCCCC.
What is the InChIKey of N-(2-bromoprop-2-enyl)hexanamide?
The InChIKey is AOSJDSNNNHLXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-3-4-5-6-9(12)11-7-8(2)10/h2-7H2,1H3,(H,11,12).
What are the key properties of N-(2-bromoprop-2-enyl)hexanamide?
N-(2-bromoprop-2-enyl)hexanamide has a molecular weight of 234.14 g/mol, XLogP of 2.59, 6 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)hexanamide is sourced from PubChem (CID 115594432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).