ethyl (1E)-N-(1-phenylethyl)methanehydrazonate

C11H16N2O — CID 11127111

IUPACethyl (1E)-N-(1-phenylethyl)methanehydrazonate
SMILESCCO/C=N/NC(C)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-3-14-9-12-13-10(2)11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3/b12-9+
InChIKeyFLAFDIJHSGTFKV-FMIVXFBMSA-N
MW192.26 g/mol
LogP2.32
Rot. Bonds5

About ethyl (1E)-N-(1-phenylethyl)methanehydrazonate

ethyl (1E)-N-(1-phenylethyl)methanehydrazonate (PubChem CID 11127111) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is ethyl (1E)-N-(1-phenylethyl)methanehydrazonate.

Molecular Properties

Compound Nameethyl (1E)-N-(1-phenylethyl)methanehydrazonate
PubChem CID11127111
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameethyl (1E)-N-(1-phenylethyl)methanehydrazonate
SMILESCCO/C=N/NC(C)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-3-14-9-12-13-10(2)11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3/b12-9+
InChIKeyFLAFDIJHSGTFKV-FMIVXFBMSA-N
XLogP2.32
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.32
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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Related Compounds

N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8932047
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 7858390
4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 68686090
(Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine
CID 102078322
1-N-[(1S)-1-phenylethyl]butane-1,2-diamine
CID 91219857
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
ethyl 3-[[(1R)-1-phenylethyl]carbamoyl]but-3-enoate
CID 102062178
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8931482
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8931487
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8901068

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-N-(1-phenylethyl)methanehydrazonate?
The IUPAC name of ethyl (1E)-N-(1-phenylethyl)methanehydrazonate (CID 11127111) is ethyl (1E)-N-(1-phenylethyl)methanehydrazonate.
What is the SMILES notation for ethyl (1E)-N-(1-phenylethyl)methanehydrazonate?
The canonical SMILES for ethyl (1E)-N-(1-phenylethyl)methanehydrazonate is CCO/C=N/NC(C)c1ccccc1.
What is the InChIKey of ethyl (1E)-N-(1-phenylethyl)methanehydrazonate?
The InChIKey is FLAFDIJHSGTFKV-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-14-9-12-13-10(2)11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3/b12-9+.
What are the key properties of ethyl (1E)-N-(1-phenylethyl)methanehydrazonate?
ethyl (1E)-N-(1-phenylethyl)methanehydrazonate has a molecular weight of 192.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-N-(1-phenylethyl)methanehydrazonate is sourced from PubChem (CID 11127111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).