methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate

C8H17NO2 — CID 172945492

IUPACmethyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate
SMILESCCC[C@H](C)O/N=C(/C)OC
InChIInChI=1S/C8H17NO2/c1-5-6-7(2)11-9-8(3)10-4/h7H,5-6H2,1-4H3/b9-8-/t7-/m0/s1
InChIKeyZHEHJPNZIXHCEK-RDONPILCSA-N
MW159.23 g/mol
LogP2.17
Rot. Bonds4

About methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate

methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate (PubChem CID 172945492) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate.

Molecular Properties

Compound Namemethyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate
PubChem CID172945492
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate
SMILESCCC[C@H](C)O/N=C(/C)OC
InChIInChI=1S/C8H17NO2/c1-5-6-7(2)11-9-8(3)10-4/h7H,5-6H2,1-4H3/b9-8-/t7-/m0/s1
InChIKeyZHEHJPNZIXHCEK-RDONPILCSA-N
XLogP2.17
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.17
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 (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate?
The IUPAC name of methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate (CID 172945492) is methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate.
What is the SMILES notation for methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate?
The canonical SMILES for methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate is CCC[C@H](C)O/N=C(/C)OC.
What is the InChIKey of methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate?
The InChIKey is ZHEHJPNZIXHCEK-RDONPILCSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-6-7(2)11-9-8(3)10-4/h7H,5-6H2,1-4H3/b9-8-/t7-/m0/s1.
What are the key properties of methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate?
methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate has a molecular weight of 159.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1Z)-N-[(2S)-pentan-2-yl]oxyethanimidate is sourced from PubChem (CID 172945492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).