(Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol

C7H15N3O — CID 138748743

IUPAC(Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol
SMILESC/C=N/C=C\C(C)C(O)NN
InChIInChI=1S/C7H15N3O/c1-3-9-5-4-6(2)7(11)10-8/h3-7,10-11H,8H2,1-2H3/b5-4-,9-3+
InChIKeyXCSKTWVKYRUOMD-SMPMWSNWSA-N
MW157.22 g/mol
LogP0.01
Rot. Bonds4

About (Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol

(Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol (PubChem CID 138748743) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol
PubChem CID138748743
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol
SMILESC/C=N/C=C\C(C)C(O)NN
InChIInChI=1S/C7H15N3O/c1-3-9-5-4-6(2)7(11)10-8/h3-7,10-11H,8H2,1-2H3/b5-4-,9-3+
InChIKeyXCSKTWVKYRUOMD-SMPMWSNWSA-N
XLogP0.01
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol?
The IUPAC name of (Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol (CID 138748743) is (Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol.
What is the SMILES notation for (Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol?
The canonical SMILES for (Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol is C/C=N/C=C\C(C)C(O)NN.
What is the InChIKey of (Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol?
The InChIKey is XCSKTWVKYRUOMD-SMPMWSNWSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-9-5-4-6(2)7(11)10-8/h3-7,10-11H,8H2,1-2H3/b5-4-,9-3+.
What are the key properties of (Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol?
(Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol has a molecular weight of 157.22 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol is sourced from PubChem (CID 138748743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).