ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide

C10H18N2O — CID 143851447

IUPACethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
SMILESC=C/C=C(\C=C/C)C(=O)NN.CC
InChIInChI=1S/C8H12N2O.C2H6/c1-3-5-7(6-4-2)8(11)10-9;1-2/h3-6H,1,9H2,2H3,(H,10,11);1-2H3/b6-4-,7-5+;
InChIKeyJVLJFPYTKBWOFA-ZMVRXXEHSA-N
MW182.27 g/mol
LogP1.69
Rot. Bonds3

About ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide

ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide (PubChem CID 143851447) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide.

Molecular Properties

Compound Nameethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
PubChem CID143851447
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
SMILESC=C/C=C(\C=C/C)C(=O)NN.CC
InChIInChI=1S/C8H12N2O.C2H6/c1-3-5-7(6-4-2)8(11)10-9;1-2/h3-6H,1,9H2,2H3,(H,10,11);1-2H3/b6-4-,7-5+;
InChIKeyJVLJFPYTKBWOFA-ZMVRXXEHSA-N
XLogP1.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-prop-1-enylpenta-2,4-dienoate
CID 123933985
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678
ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 142089617
ethane;ethyl (4E)-3-oxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienoate
CID 143439459
(2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 146639818
(2E)-N-[(2E,4E,6Z)-3-hydroxyocta-2,4,6-trien-4-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 145162812
N-[(4-aminophenyl)methylideneamino]-2-prop-1-enylpenta-2,4-dienamide
CID 123733247
ethane;(3E,6E)-6-ethenyl-9-methyl-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 144664030
[(3E,5Z,8Z,9Z)-8-ethylidene-4-[(Z)-prop-1-enyl]undeca-1,3,5,9-tetraen-5-yl]hydrazine
CID 145261283
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
ethane;(4E)-3-oxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienenitrile
CID 168948785

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide?
The IUPAC name of ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide (CID 143851447) is ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide.
What is the SMILES notation for ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide?
The canonical SMILES for ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide is C=C/C=C(\C=C/C)C(=O)NN.CC.
What is the InChIKey of ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide?
The InChIKey is JVLJFPYTKBWOFA-ZMVRXXEHSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-3-5-7(6-4-2)8(11)10-9;1-2/h3-6H,1,9H2,2H3,(H,10,11);1-2H3/b6-4-,7-5+;.
What are the key properties of ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide?
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide has a molecular weight of 182.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide is sourced from PubChem (CID 143851447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).