(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

(E)-2-[(2Z)-2-ethylidenehydrazinyl]-N,3-dimethylpent-2-enamide
CID 143941192
(Z)-N-[(Z)-ethylideneamino]-1-ethylsulfanyl-2-methylbut-1-en-1-amine
CID 143941334
N'-amino-N-[(Z)-ethylideneamino]propanimidamide
CID 174020108
1-N'-(ethylideneamino)ethene-1,1-diamine
CID 58774645
[(E)-[(E)-3-methylpent-2-enylidene]amino]urea
CID 50989810
3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide
CID 155582380
[(E)-2-oxobutylideneamino]urea
CID 55288593
N-[(Z)-ethylideneamino]-2,2-dimethylpropanamide
CID 130468433
acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane
CID 172937135
(Z)-2-formamido-3-hydroxybut-2-enamide
CID 131854326
N-[(Z)-ethylideneamino]-N'-methylethanimidamide
CID 89218038
2-methyl-1-nitrosobut-1-en-1-amine
CID 174983371

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).