N'-but-2-enylbut-2-enehydrazide

C8H14N2O — CID 57127357

IUPACN'-but-2-enylbut-2-enehydrazide
SMILESCC=CCNNC(=O)C=CC
InChIInChI=1S/C8H14N2O/c1-3-5-7-9-10-8(11)6-4-2/h3-6,9H,7H2,1-2H3,(H,10,11)
InChIKeyUSNHVANXOVROAT-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.76
Rot. Bonds4

About N'-but-2-enylbut-2-enehydrazide

N'-but-2-enylbut-2-enehydrazide (PubChem CID 57127357) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N'-but-2-enylbut-2-enehydrazide.

Molecular Properties

Compound NameN'-but-2-enylbut-2-enehydrazide
PubChem CID57127357
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN'-but-2-enylbut-2-enehydrazide
SMILESCC=CCNNC(=O)C=CC
InChIInChI=1S/C8H14N2O/c1-3-5-7-9-10-8(11)6-4-2/h3-6,9H,7H2,1-2H3,(H,10,11)
InChIKeyUSNHVANXOVROAT-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

(E)-N'-[(E)-but-2-enoyl]but-2-enehydrazide
CID 6473965
(E)-but-2-enehydrazide
CID 5354082
(2E,4E)-hexa-2,4-dienehydrazide
CID 13405172
N'-but-2-enoylbut-2-enehydrazide
CID 456798
N'-[(E)-but-2-enyl]acetohydrazide
CID 11018887
1,6-Dihydropyridazin-3(2H)-one
CID 21981812
Tetrahydro-1,2-diazepin-7-one
CID 129793116
N'-prop-2-enylacetohydrazide
CID 12357515
Crotonic 2,2-dimethylhydrazide
CID 21704825
Einecs 253-082-7
CID 21278031
N-[[(E)-but-2-enoyl]amino]formamide
CID 15120469
(E)-N'-acetylbut-2-enehydrazide
CID 15120470

Frequently Asked Questions

What is the IUPAC name of N'-but-2-enylbut-2-enehydrazide?
The IUPAC name of N'-but-2-enylbut-2-enehydrazide (CID 57127357) is N'-but-2-enylbut-2-enehydrazide.
What is the SMILES notation for N'-but-2-enylbut-2-enehydrazide?
The canonical SMILES for N'-but-2-enylbut-2-enehydrazide is CC=CCNNC(=O)C=CC.
What is the InChIKey of N'-but-2-enylbut-2-enehydrazide?
The InChIKey is USNHVANXOVROAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-5-7-9-10-8(11)6-4-2/h3-6,9H,7H2,1-2H3,(H,10,11).
What are the key properties of N'-but-2-enylbut-2-enehydrazide?
N'-but-2-enylbut-2-enehydrazide has a molecular weight of 154.21 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-enylbut-2-enehydrazide is sourced from PubChem (CID 57127357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).