oxolan-2-ylmethyl ethanimidate

C7H13NO2 — CID 123698253

IUPACoxolan-2-ylmethyl ethanimidate
SMILES[H]/N=C(\C)OCC1CCCO1
InChIInChI=1S/C7H13NO2/c1-6(8)10-5-7-3-2-4-9-7/h7-8H,2-5H2,1H3/b8-6+
InChIKeyNJAGUACNXZKCHY-SOFGYWHQSA-N
MW143.19 g/mol
LogP1.18
Rot. Bonds2

About oxolan-2-ylmethyl ethanimidate

oxolan-2-ylmethyl ethanimidate (PubChem CID 123698253) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is oxolan-2-ylmethyl ethanimidate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl ethanimidate
PubChem CID123698253
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameoxolan-2-ylmethyl ethanimidate
SMILES[H]/N=C(\C)OCC1CCCO1
InChIInChI=1S/C7H13NO2/c1-6(8)10-5-7-3-2-4-9-7/h7-8H,2-5H2,1H3/b8-6+
InChIKeyNJAGUACNXZKCHY-SOFGYWHQSA-N
XLogP1.18
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.18
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'}

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Related Compounds

O-(oxolan-2-ylmethyl) ethanethioate
CID 91101390
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxolan-2-ylmethyl hypochlorite
CID 22491519
oxolan-2-ylmethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate
CID 70367334
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 67764408
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
ethane;oxolan-2-ylmethoxythallium
CID 142985824
[(2S)-oxolan-2-yl]methoxymethanamine
CID 126553312
trimethyl(oxolan-2-ylmethoxy)silane
CID 551445

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl ethanimidate?
The IUPAC name of oxolan-2-ylmethyl ethanimidate (CID 123698253) is oxolan-2-ylmethyl ethanimidate.
What is the SMILES notation for oxolan-2-ylmethyl ethanimidate?
The canonical SMILES for oxolan-2-ylmethyl ethanimidate is [H]/N=C(\C)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl ethanimidate?
The InChIKey is NJAGUACNXZKCHY-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(8)10-5-7-3-2-4-9-7/h7-8H,2-5H2,1H3/b8-6+.
What are the key properties of oxolan-2-ylmethyl ethanimidate?
oxolan-2-ylmethyl ethanimidate has a molecular weight of 143.19 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl ethanimidate is sourced from PubChem (CID 123698253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).