(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid

C8H12N2O2 — CID 143594012

IUPAC(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid
SMILESC=C/C=C(C(=O)O)\C(=C/C)NN
InChIInChI=1S/C8H12N2O2/c1-3-5-6(8(11)12)7(4-2)10-9/h3-5,10H,1,9H2,2H3,(H,11,12)/b6-5+,7-4+
InChIKeyRSGBGRHRKGNFNN-HVUXDCMCSA-N
MW168.20 g/mol
LogP0.55
Rot. Bonds4

About (2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid

(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid (PubChem CID 143594012) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid
PubChem CID143594012
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid
SMILESC=C/C=C(C(=O)O)\C(=C/C)NN
InChIInChI=1S/C8H12N2O2/c1-3-5-6(8(11)12)7(4-2)10-9/h3-5,10H,1,9H2,2H3,(H,11,12)/b6-5+,7-4+
InChIKeyRSGBGRHRKGNFNN-HVUXDCMCSA-N
XLogP0.55
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid
CID 141492720
2-Hydrazinylcyclopenta-1,4-diene-1-carboxylic acid
CID 58190658
(2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid
CID 89021611
(E)-2-(1-diazenylethenyl)pent-2-enoic acid
CID 89230666
(2E,3E)-3-amino-2-ethylidenehexa-3,5-dienoic acid
CID 118592017
(2E,3E,5Z)-3-amino-2-ethylidenehepta-3,5-dienoic acid
CID 126576273
(2E,3E)-3-amino-2-ethylidenehexa-3,5-dienoic acid;ethane
CID 141797774
(2E)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienoic acid
CID 141982708
(E,2E)-3-amino-2-prop-2-enylidenehex-3-enoic acid
CID 142046886
(2E,3E,5Z)-3-amino-2-prop-2-enylidenehepta-3,5-dienoic acid
CID 142241419
(2E)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienoic acid;ethane
CID 142241434
(2E,3E)-3-amino-2-propylidenehexa-3,5-dienoic acid;ethane
CID 143206498

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid?
The IUPAC name of (2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid (CID 143594012) is (2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid.
What is the SMILES notation for (2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid?
The canonical SMILES for (2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid is C=C/C=C(C(=O)O)\C(=C/C)NN.
What is the InChIKey of (2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid?
The InChIKey is RSGBGRHRKGNFNN-HVUXDCMCSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-5-6(8(11)12)7(4-2)10-9/h3-5,10H,1,9H2,2H3,(H,11,12)/b6-5+,7-4+.
What are the key properties of (2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid?
(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid has a molecular weight of 168.20 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid is sourced from PubChem (CID 143594012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).