(3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide

C11H18N2O2 — CID 143661407

IUPAC(3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide
SMILESC=C(/C=C(C(\O)=C/C)/C(C)C)C(=O)NN
InChIInChI=1S/C11H18N2O2/c1-5-10(14)9(7(2)3)6-8(4)11(15)13-12/h5-7,14H,4,12H2,1-3H3,(H,13,15)/b9-6-,10-5+
InChIKeyWXRCRHLWBUOVFU-SCWCTGRGSA-N
MW210.28 g/mol
LogP1.58
Rot. Bonds4

About (3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide

(3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide (PubChem CID 143661407) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide.

Molecular Properties

Compound Name(3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide
PubChem CID143661407
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide
SMILESC=C(/C=C(C(\O)=C/C)/C(C)C)C(=O)NN
InChIInChI=1S/C11H18N2O2/c1-5-10(14)9(7(2)3)6-8(4)11(15)13-12/h5-7,14H,4,12H2,1-3H3,(H,13,15)/b9-6-,10-5+
InChIKeyWXRCRHLWBUOVFU-SCWCTGRGSA-N
XLogP1.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-formylprop-2-enehydrazide
CID 22179166
but-2-ene;hydrazinecarboxylic acid
CID 174628271
(Z)-but-2-enedioic acid;(Z)-4-hydrazinyl-3-methyl-4-oxobut-2-enoic acid
CID 158985385
(3E,5Z)-2,4-difluoro-5-propan-2-ylhepta-1,3,5-triene
CID 89217781
acetic acid;3-methylbut-1-en-2-ol
CID 71446576
(E)-2-(1-hydroxyethyl)but-2-enoic acid
CID 14739280
2-methylpent-3-enehydrazide
CID 172737407
N,4-dimethyl-2-propan-2-ylpent-2-enamide
CID 174511197
(E,5E)-5-ethylidene-3-hydroxy-2-methylidenehex-3-enedioic acid
CID 145434426
(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene
CID 149203613
(E)-3,5-dimethyl-4-methylidenehex-2-enoic acid
CID 159434204
carbonic acid;prop-1-ene;trihydrofluoride
CID 174985064

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide?
The IUPAC name of (3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide (CID 143661407) is (3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide.
What is the SMILES notation for (3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide?
The canonical SMILES for (3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide is C=C(/C=C(C(\O)=C/C)/C(C)C)C(=O)NN.
What is the InChIKey of (3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide?
The InChIKey is WXRCRHLWBUOVFU-SCWCTGRGSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-10(14)9(7(2)3)6-8(4)11(15)13-12/h5-7,14H,4,12H2,1-3H3,(H,13,15)/b9-6-,10-5+.
What are the key properties of (3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide?
(3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide has a molecular weight of 210.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide is sourced from PubChem (CID 143661407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).