(E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide

C12H20BrNO2 — CID 11033580

IUPAC(E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide
SMILESCC/C=C/CCCC(=O)C(Br)C(=O)N(C)C
InChIInChI=1S/C12H20BrNO2/c1-4-5-6-7-8-9-10(15)11(13)12(16)14(2)3/h5-6,11H,4,7-9H2,1-3H3/b6-5+
InChIKeyMBFCTMAGJALDDB-AATRIKPKSA-N
MW290.20 g/mol
LogP2.54
Rot. Bonds7

About (E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide

(E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide (PubChem CID 11033580) has the molecular formula C12H20BrNO2 and a molecular weight of 290.20 g/mol. Its IUPAC name is (E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide.

Molecular Properties

Compound Name(E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide
PubChem CID11033580
Molecular FormulaC12H20BrNO2
Molecular Weight290.20 g/mol
Exact Mass289.07
IUPAC Name(E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide
SMILESCC/C=C/CCCC(=O)C(Br)C(=O)N(C)C
InChIInChI=1S/C12H20BrNO2/c1-4-5-6-7-8-9-10(15)11(13)12(16)14(2)3/h5-6,11H,4,7-9H2,1-3H3/b6-5+
InChIKeyMBFCTMAGJALDDB-AATRIKPKSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylnon-6-enamide
CID 76781952
(Z)-N,N,2-trimethyloct-5-enamide
CID 150696751
(7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-7,10,13,16,19-pentaen-3-one;(6Z,9Z,12Z,15Z,18Z,21Z)-2-methyltetracosa-6,9,12,15,18,21-hexaen-3-one
CID 159107554
(Z)-non-6-en-2-one
CID 11105450
(E)-N-[1-[methyl-[2-[[(E)-oct-5-enoyl]amino]propyl]amino]propan-2-yl]oct-5-enamide
CID 102116531
potassium 2-[methyl-[(E)-oct-5-enoyl]amino]propanoate
CID 102117343
icosa-5,8,11,14,17-pentaenamide
CID 160981167
(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
CID 118863896
(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one
CID 158915698
(5Z,8Z,11Z,14Z,17Z)-N-methyl-N-(3-oxobutan-2-yl)icosa-5,8,11,14,17-pentaenamide
CID 163368698
2,4-dimethylpentan-3-yl (E)-oct-5-enoate
CID 140637119
(Z)-1-hydroxyundec-8-en-3-one
CID 174922632

Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide?
The IUPAC name of (E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide (CID 11033580) is (E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide.
What is the SMILES notation for (E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide?
The canonical SMILES for (E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide is CC/C=C/CCCC(=O)C(Br)C(=O)N(C)C.
What is the InChIKey of (E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide?
The InChIKey is MBFCTMAGJALDDB-AATRIKPKSA-N. The full InChI is InChI=1S/C12H20BrNO2/c1-4-5-6-7-8-9-10(15)11(13)12(16)14(2)3/h5-6,11H,4,7-9H2,1-3H3/b6-5+.
What are the key properties of (E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide?
(E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide has a molecular weight of 290.20 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-N,N-dimethyl-3-oxodec-7-enamide is sourced from PubChem (CID 11033580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).