ethyl (1E)-N-propan-2-ylideneethanehydrazonate

C7H14N2O — CID 131862809

IUPACethyl (1E)-N-propan-2-ylideneethanehydrazonate
SMILESCCO/C(C)=N/N=C(C)C
InChIInChI=1S/C7H14N2O/c1-5-10-7(4)9-8-6(2)3/h5H2,1-4H3/b9-7+
InChIKeyAURHMEWSSHODBG-VQHVLOKHSA-N
MW142.20 g/mol
LogP1.84
Rot. Bonds2

About ethyl (1E)-N-propan-2-ylideneethanehydrazonate

ethyl (1E)-N-propan-2-ylideneethanehydrazonate (PubChem CID 131862809) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is ethyl (1E)-N-propan-2-ylideneethanehydrazonate.

Molecular Properties

Compound Nameethyl (1E)-N-propan-2-ylideneethanehydrazonate
PubChem CID131862809
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Nameethyl (1E)-N-propan-2-ylideneethanehydrazonate
SMILESCCO/C(C)=N/N=C(C)C
InChIInChI=1S/C7H14N2O/c1-5-10-7(4)9-8-6(2)3/h5H2,1-4H3/b9-7+
InChIKeyAURHMEWSSHODBG-VQHVLOKHSA-N
XLogP1.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.84
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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Related Compounds

ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate
CID 134986578
ethyl (1E)-ethanehydrazonate
CID 57432796
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
2,2,2-trifluoroethyl (1E)-N-propan-2-ylideneethanehydrazonate
CID 13199102
ethyl N-acetylethanimidate
CID 10011919
ethyl N-dihydroxyphosphinothioyloxyethanimidate
CID 88700961
ethyl N-(3-chloropropoxy)ethanimidate
CID 71339989
ethyl (1E)-N-(3-bromopropoxy)ethanimidate
CID 18008115
N-(propan-2-ylideneamino)butan-2-imine
CID 59062083
ethyl N-(4-fluorophenyl)ethanimidate
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ethyl N-(4-bromobutoxy)ethanimidate
CID 54060616

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-N-propan-2-ylideneethanehydrazonate?
The IUPAC name of ethyl (1E)-N-propan-2-ylideneethanehydrazonate (CID 131862809) is ethyl (1E)-N-propan-2-ylideneethanehydrazonate.
What is the SMILES notation for ethyl (1E)-N-propan-2-ylideneethanehydrazonate?
The canonical SMILES for ethyl (1E)-N-propan-2-ylideneethanehydrazonate is CCO/C(C)=N/N=C(C)C.
What is the InChIKey of ethyl (1E)-N-propan-2-ylideneethanehydrazonate?
The InChIKey is AURHMEWSSHODBG-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-10-7(4)9-8-6(2)3/h5H2,1-4H3/b9-7+.
What are the key properties of ethyl (1E)-N-propan-2-ylideneethanehydrazonate?
ethyl (1E)-N-propan-2-ylideneethanehydrazonate has a molecular weight of 142.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-N-propan-2-ylideneethanehydrazonate is sourced from PubChem (CID 131862809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).