5-bromo-6-methylidenepiperidin-2-one;propane

C9H16BrNO — CID 177140636

IUPAC5-bromo-6-methylidenepiperidin-2-one;propane
SMILESC=C1NC(=O)CCC1Br.CCC
InChIInChI=1S/C6H8BrNO.C3H8/c1-4-5(7)2-3-6(9)8-4;1-3-2/h5H,1-3H2,(H,8,9);3H2,1-2H3
InChIKeyMMBGAZHEMAWNSN-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.59
Rot. Bonds

About 5-bromo-6-methylidenepiperidin-2-one;propane

5-bromo-6-methylidenepiperidin-2-one;propane (PubChem CID 177140636) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is 5-bromo-6-methylidenepiperidin-2-one;propane.

Molecular Properties

Compound Name5-bromo-6-methylidenepiperidin-2-one;propane
PubChem CID177140636
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC Name5-bromo-6-methylidenepiperidin-2-one;propane
SMILESC=C1NC(=O)CCC1Br.CCC
InChIInChI=1S/C6H8BrNO.C3H8/c1-4-5(7)2-3-6(9)8-4;1-3-2/h5H,1-3H2,(H,8,9);3H2,1-2H3
InChIKeyMMBGAZHEMAWNSN-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione
CID 162882457
3-[2-(2,6-dioxopiperidin-3-yl)ethyl]piperidine-2,6-dione
CID 54373582
5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one
CID 157209657
3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione
CID 143529364
(2R)-2-ethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 121277645
CID 153393837
CID 153393837
ethane;3-methylpyrrolidine-2,5-dione;propane
CID 145077035
6-methylpiperidin-2-one;propane
CID 142225224
6-methylidene-5-spiro[3H-indole-2,1'-cyclopropane]-1-ylpiperidin-2-one
CID 170356747
4-bromopiperidine-2,6-dione
CID 22351194
5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one
CID 170102732
3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane
CID 177240351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methylidenepiperidin-2-one;propane?
The IUPAC name of 5-bromo-6-methylidenepiperidin-2-one;propane (CID 177140636) is 5-bromo-6-methylidenepiperidin-2-one;propane.
What is the SMILES notation for 5-bromo-6-methylidenepiperidin-2-one;propane?
The canonical SMILES for 5-bromo-6-methylidenepiperidin-2-one;propane is C=C1NC(=O)CCC1Br.CCC.
What is the InChIKey of 5-bromo-6-methylidenepiperidin-2-one;propane?
The InChIKey is MMBGAZHEMAWNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO.C3H8/c1-4-5(7)2-3-6(9)8-4;1-3-2/h5H,1-3H2,(H,8,9);3H2,1-2H3.
What are the key properties of 5-bromo-6-methylidenepiperidin-2-one;propane?
5-bromo-6-methylidenepiperidin-2-one;propane has a molecular weight of 234.14 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methylidenepiperidin-2-one;propane is sourced from PubChem (CID 177140636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).