(E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide

C8H15N3O — CID 143941275

IUPAC(E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide
SMILESC/C=N\N/C(C(N)=O)=C(\C)CC
InChIInChI=1S/C8H15N3O/c1-4-6(3)7(8(9)12)11-10-5-2/h5,11H,4H2,1-3H3,(H2,9,12)/b7-6+,10-5-
InChIKeyXWSJUKHVCLZVSI-BAGHCZIJSA-N
MW169.23 g/mol
LogP0.75
Rot. Bonds4

About (E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide

(E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide (PubChem CID 143941275) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide
PubChem CID143941275
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide
SMILESC/C=N\N/C(C(N)=O)=C(\C)CC
InChIInChI=1S/C8H15N3O/c1-4-6(3)7(8(9)12)11-10-5-2/h5,11H,4H2,1-3H3,(H2,9,12)/b7-6+,10-5-
InChIKeyXWSJUKHVCLZVSI-BAGHCZIJSA-N
XLogP0.75
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

5-amino-4-pentyl-1H-pyridazin-6-one
CID 69019844
5-amino-4-ethyl-1H-pyridazin-6-one
CID 117127390
5-amino-4-propyl-1H-pyridazin-6-one
CID 117127391
5-amino-4-propan-2-yl-1H-pyridazin-6-one
CID 117127397
4-Amino-5-(tert-butyl)pyridazin-3-ol
CID 117127398
2-[(2Z)-2-ethylidenehydrazinyl]-3-methylbut-2-enamide
CID 143941179
(E)-2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylpent-2-enamide
CID 143941192

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide?
The IUPAC name of (E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide (CID 143941275) is (E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide.
What is the SMILES notation for (E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide?
The canonical SMILES for (E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide is C/C=N\N/C(C(N)=O)=C(\C)CC.
What is the InChIKey of (E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide?
The InChIKey is XWSJUKHVCLZVSI-BAGHCZIJSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-6(3)7(8(9)12)11-10-5-2/h5,11H,4H2,1-3H3,(H2,9,12)/b7-6+,10-5-.
What are the key properties of (E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide?
(E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide has a molecular weight of 169.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(2Z)-2-ethylidenehydrazinyl]-3-methylpent-2-enamide is sourced from PubChem (CID 143941275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).