11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide

C21H39BrN2O2 — CID 102279254

IUPAC11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide
SMILESCCCCC/C=C/CCC(=O)NNC(=O)CCCCCCCCCCBr
InChIInChI=1S/C21H39BrN2O2/c1-2-3-4-5-8-11-14-17-20(25)23-24-21(26)18-15-12-9-6-7-10-13-16-19-22/h8,11H,2-7,9-10,12-19H2,1H3,(H,23,25)(H,24,26)/b11-8+
InChIKeySOORSMMKYGWVRF-DHZHZOJOSA-N
MW431.46 g/mol
LogP5.96
Rot. Bonds17

About 11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide

11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide (PubChem CID 102279254) has the molecular formula C21H39BrN2O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide.

Molecular Properties

Compound Name11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide
PubChem CID102279254
Molecular FormulaC21H39BrN2O2
Molecular Weight431.46 g/mol
Exact Mass430.22
IUPAC Name11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide
SMILESCCCCC/C=C/CCC(=O)NNC(=O)CCCCCCCCCCBr
InChIInChI=1S/C21H39BrN2O2/c1-2-3-4-5-8-11-14-17-20(25)23-24-21(26)18-15-12-9-6-7-10-13-16-19-22/h8,11H,2-7,9-10,12-19H2,1H3,(H,23,25)(H,24,26)/b11-8+
InChIKeySOORSMMKYGWVRF-DHZHZOJOSA-N
XLogP5.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.96
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 154340616
(Z)-1-bromotetradec-6-ene
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(E)-18-bromooctadec-6-ene
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4-bromo-N-octadec-9-enylbutanamide
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(E)-nonadec-12-en-9-one
CID 15584258
(E)-triacont-15-ene-8,23-dione
CID 11849500
(E)-1-bromoundec-5-ene
CID 13044969
[(Z)-dec-4-enyl] 7-bromoheptanoate
CID 164551896
(Z)-N-methyldec-4-enamide
CID 151338477
N'-prop-1-enyloctadec-9-enehydrazide
CID 173235282
(E)-15-bromopentadec-5-ene
CID 14309355
(Z)-16-bromohexadec-5-ene
CID 11645149

Frequently Asked Questions

What is the IUPAC name of 11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide?
The IUPAC name of 11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide (CID 102279254) is 11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide.
What is the SMILES notation for 11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide?
The canonical SMILES for 11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide is CCCCC/C=C/CCC(=O)NNC(=O)CCCCCCCCCCBr.
What is the InChIKey of 11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide?
The InChIKey is SOORSMMKYGWVRF-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H39BrN2O2/c1-2-3-4-5-8-11-14-17-20(25)23-24-21(26)18-15-12-9-6-7-10-13-16-19-22/h8,11H,2-7,9-10,12-19H2,1H3,(H,23,25)(H,24,26)/b11-8+.
What are the key properties of 11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide?
11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide has a molecular weight of 431.46 g/mol, XLogP of 5.96, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromo-N'-[(E)-dec-4-enoyl]undecanehydrazide is sourced from PubChem (CID 102279254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).