methyl (1E)-N-methoxycarbonylethanehydrazonate

C5H10N2O3 — CID 118028972

IUPACmethyl (1E)-N-methoxycarbonylethanehydrazonate
SMILESCOC(=O)N/N=C(\C)OC
InChIInChI=1S/C5H10N2O3/c1-4(9-2)6-7-5(8)10-3/h1-3H3,(H,7,8)/b6-4+
InChIKeyFTQGLASQGMROJW-GQCTYLIASA-N
MW146.15 g/mol
LogP0.32
Rot. Bonds1

About methyl (1E)-N-methoxycarbonylethanehydrazonate

methyl (1E)-N-methoxycarbonylethanehydrazonate (PubChem CID 118028972) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is methyl (1E)-N-methoxycarbonylethanehydrazonate.

Molecular Properties

Compound Namemethyl (1E)-N-methoxycarbonylethanehydrazonate
PubChem CID118028972
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Namemethyl (1E)-N-methoxycarbonylethanehydrazonate
SMILESCOC(=O)N/N=C(\C)OC
InChIInChI=1S/C5H10N2O3/c1-4(9-2)6-7-5(8)10-3/h1-3H3,(H,7,8)/b6-4+
InChIKeyFTQGLASQGMROJW-GQCTYLIASA-N
XLogP0.32
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

methyl N-[(E)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]carbamate
CID 136643574
methyl 3-(methoxycarbonylhydrazinylidene)butanoate
CID 170986188
methyl (3E)-2-chloro-3-(methoxycarbonylhydrazinylidene)butanoate
CID 134897095
methyl N-[1,3-bis(hydroxyimino)propan-2-ylideneamino]carbamate
CID 135435471
methyl N-(5-methylhexan-2-ylideneamino)carbamate
CID 131853337
methyl N-[(1-chloro-2,2,2-trifluoroethylidene)amino]carbamate
CID 54467048
methyl N-(dipropoxymethylideneamino)carbamate
CID 22617107
methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate
CID 6309358
ethane;methyl (1Z)-N-methylethanehydrazonate
CID 167502195
ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate
CID 7278066
ethyl 2-[N-(methoxycarbonylamino)-C-methylcarbonimidoyl]pentanoate
CID 3255004
methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate
CID 9075082

Frequently Asked Questions

What is the IUPAC name of methyl (1E)-N-methoxycarbonylethanehydrazonate?
The IUPAC name of methyl (1E)-N-methoxycarbonylethanehydrazonate (CID 118028972) is methyl (1E)-N-methoxycarbonylethanehydrazonate.
What is the SMILES notation for methyl (1E)-N-methoxycarbonylethanehydrazonate?
The canonical SMILES for methyl (1E)-N-methoxycarbonylethanehydrazonate is COC(=O)N/N=C(\C)OC.
What is the InChIKey of methyl (1E)-N-methoxycarbonylethanehydrazonate?
The InChIKey is FTQGLASQGMROJW-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2O3/c1-4(9-2)6-7-5(8)10-3/h1-3H3,(H,7,8)/b6-4+.
What are the key properties of methyl (1E)-N-methoxycarbonylethanehydrazonate?
methyl (1E)-N-methoxycarbonylethanehydrazonate has a molecular weight of 146.15 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1E)-N-methoxycarbonylethanehydrazonate is sourced from PubChem (CID 118028972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).