(E)-3-methyl-N-prop-2-enylpent-2-enehydrazide

C9H16N2O — CID 118686803

IUPAC(E)-3-methyl-N-prop-2-enylpent-2-enehydrazide
SMILESC=CCN(N)C(=O)/C=C(\C)CC
InChIInChI=1S/C9H16N2O/c1-4-6-11(10)9(12)7-8(3)5-2/h4,7H,1,5-6,10H2,2-3H3/b8-7+
InChIKeyHFXQRWVQFVTZBH-BQYQJAHWSA-N
MW168.24 g/mol
LogP1.23
Rot. Bonds4

About (E)-3-methyl-N-prop-2-enylpent-2-enehydrazide

(E)-3-methyl-N-prop-2-enylpent-2-enehydrazide (PubChem CID 118686803) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-3-methyl-N-prop-2-enylpent-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-methyl-N-prop-2-enylpent-2-enehydrazide
PubChem CID118686803
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(E)-3-methyl-N-prop-2-enylpent-2-enehydrazide
SMILESC=CCN(N)C(=O)/C=C(\C)CC
InChIInChI=1S/C9H16N2O/c1-4-6-11(10)9(12)7-8(3)5-2/h4,7H,1,5-6,10H2,2-3H3/b8-7+
InChIKeyHFXQRWVQFVTZBH-BQYQJAHWSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-prop-2-enylpent-2-enehydrazide?
The IUPAC name of (E)-3-methyl-N-prop-2-enylpent-2-enehydrazide (CID 118686803) is (E)-3-methyl-N-prop-2-enylpent-2-enehydrazide.
What is the SMILES notation for (E)-3-methyl-N-prop-2-enylpent-2-enehydrazide?
The canonical SMILES for (E)-3-methyl-N-prop-2-enylpent-2-enehydrazide is C=CCN(N)C(=O)/C=C(\C)CC.
What is the InChIKey of (E)-3-methyl-N-prop-2-enylpent-2-enehydrazide?
The InChIKey is HFXQRWVQFVTZBH-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-6-11(10)9(12)7-8(3)5-2/h4,7H,1,5-6,10H2,2-3H3/b8-7+.
What are the key properties of (E)-3-methyl-N-prop-2-enylpent-2-enehydrazide?
(E)-3-methyl-N-prop-2-enylpent-2-enehydrazide has a molecular weight of 168.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-prop-2-enylpent-2-enehydrazide is sourced from PubChem (CID 118686803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).