ethyl N-butanoylmethanehydrazonate

C7H14N2O2 — CID 155344552

IUPACethyl N-butanoylmethanehydrazonate
SMILESCCCC(=O)NN=COCC
InChIInChI=1S/C7H14N2O2/c1-3-5-7(10)9-8-6-11-4-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyDTMQSQISONWXPP-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.88
Rot. Bonds5

About ethyl N-butanoylmethanehydrazonate

ethyl N-butanoylmethanehydrazonate (PubChem CID 155344552) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl N-butanoylmethanehydrazonate.

Molecular Properties

Compound Nameethyl N-butanoylmethanehydrazonate
PubChem CID155344552
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethyl N-butanoylmethanehydrazonate
SMILESCCCC(=O)NN=COCC
InChIInChI=1S/C7H14N2O2/c1-3-5-7(10)9-8-6-11-4-2/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyDTMQSQISONWXPP-UHFFFAOYSA-N
XLogP0.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
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 ethyl N-butanoylmethanehydrazonate?
The IUPAC name of ethyl N-butanoylmethanehydrazonate (CID 155344552) is ethyl N-butanoylmethanehydrazonate.
What is the SMILES notation for ethyl N-butanoylmethanehydrazonate?
The canonical SMILES for ethyl N-butanoylmethanehydrazonate is CCCC(=O)NN=COCC.
What is the InChIKey of ethyl N-butanoylmethanehydrazonate?
The InChIKey is DTMQSQISONWXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-5-7(10)9-8-6-11-4-2/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of ethyl N-butanoylmethanehydrazonate?
ethyl N-butanoylmethanehydrazonate has a molecular weight of 158.20 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-butanoylmethanehydrazonate is sourced from PubChem (CID 155344552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).