methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate

C7H12N2O — CID 166954555

IUPACmethyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate
SMILESC/C=C(C)/C=N\N=C/OC
InChIInChI=1S/C7H12N2O/c1-4-7(2)5-8-9-6-10-3/h4-6H,1-3H3/b7-4+,8-5-,9-6-
InChIKeyQZTLGYDRXMLWEB-DKPCUIQXSA-N
MW140.19 g/mol
LogP1.61
Rot. Bonds3

About methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate

methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate (PubChem CID 166954555) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate.

Molecular Properties

Compound Namemethyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate
PubChem CID166954555
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Namemethyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate
SMILESC/C=C(C)/C=N\N=C/OC
InChIInChI=1S/C7H12N2O/c1-4-7(2)5-8-9-6-10-3/h4-6H,1-3H3/b7-4+,8-5-,9-6-
InChIKeyQZTLGYDRXMLWEB-DKPCUIQXSA-N
XLogP1.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate?
The IUPAC name of methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate (CID 166954555) is methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate.
What is the SMILES notation for methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate?
The canonical SMILES for methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate is C/C=C(C)/C=N\N=C/OC.
What is the InChIKey of methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate?
The InChIKey is QZTLGYDRXMLWEB-DKPCUIQXSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-7(2)5-8-9-6-10-3/h4-6H,1-3H3/b7-4+,8-5-,9-6-.
What are the key properties of methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate?
methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate has a molecular weight of 140.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NZ,1Z)-N-[(E)-2-methylbut-2-enylidene]methanehydrazonate is sourced from PubChem (CID 166954555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).