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

C10H18N2O2 — CID 143594011

IUPACethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid
SMILESC=C/C=C(C(=O)O)\C(=C/C)NN.CC
InChIInChI=1S/C8H12N2O2.C2H6/c1-3-5-6(8(11)12)7(4-2)10-9;1-2/h3-5,10H,1,9H2,2H3,(H,11,12);1-2H3/b6-5+,7-4+;
InChIKeyKYPISQIBBHRIKV-CSXYFPIISA-N
MW198.27 g/mol
LogP1.58
Rot. Bonds4

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

ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid (PubChem CID 143594011) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid.

Molecular Properties

Compound Nameethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid
PubChem CID143594011
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid
SMILESC=C/C=C(C(=O)O)\C(=C/C)NN.CC
InChIInChI=1S/C8H12N2O2.C2H6/c1-3-5-6(8(11)12)7(4-2)10-9;1-2/h3-5,10H,1,9H2,2H3,(H,11,12);1-2H3/b6-5+,7-4+;
InChIKeyKYPISQIBBHRIKV-CSXYFPIISA-N
XLogP1.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.58
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

(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid
CID 143334790
(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 143334780
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
CID 143851447
(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid
CID 143656480
(2E,3E)-3-[[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 155110175
(3E,5E)-5-amino-3-ethenyl-2-oxoocta-3,5,7-trienoic acid;ethane
CID 143019358
(3E)-3-[(E)-1-hydroxyprop-1-enyl]hexa-3,5-dien-2-one
CID 142088410
(2E,3E)-3-anilino-2-ethylidenehexa-3,5-dienoic acid
CID 145172295
ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 142089617
2-ethylidenepropanedioic acid
CID 15930801
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678
but-2-ene;hydrazinecarboxylic acid
CID 174628271

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid?
The IUPAC name of ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid (CID 143594011) is ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid.
What is the SMILES notation for ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid?
The canonical SMILES for ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid is C=C/C=C(C(=O)O)\C(=C/C)NN.CC.
What is the InChIKey of ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid?
The InChIKey is KYPISQIBBHRIKV-CSXYFPIISA-N. The full InChI is InChI=1S/C8H12N2O2.C2H6/c1-3-5-6(8(11)12)7(4-2)10-9;1-2/h3-5,10H,1,9H2,2H3,(H,11,12);1-2H3/b6-5+,7-4+;.
What are the key properties of ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid?
ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid has a molecular weight of 198.27 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 ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid is sourced from PubChem (CID 143594011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).