1-hydroxyethyl N-methylethanimidate

C5H11NO2 — CID 88562945

IUPAC1-hydroxyethyl N-methylethanimidate
SMILESC/N=C(\C)OC(C)O
InChIInChI=1S/C5H11NO2/c1-4(6-3)8-5(2)7/h5,7H,1-3H3/b6-4+
InChIKeyQFSNTYBRAZOSGP-GQCTYLIASA-N
MW117.15 g/mol
LogP0.39
Rot. Bonds1

About 1-hydroxyethyl N-methylethanimidate

1-hydroxyethyl N-methylethanimidate (PubChem CID 88562945) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-hydroxyethyl N-methylethanimidate.

Molecular Properties

Compound Name1-hydroxyethyl N-methylethanimidate
PubChem CID88562945
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-hydroxyethyl N-methylethanimidate
SMILESC/N=C(\C)OC(C)O
InChIInChI=1S/C5H11NO2/c1-4(6-3)8-5(2)7/h5,7H,1-3H3/b6-4+
InChIKeyQFSNTYBRAZOSGP-GQCTYLIASA-N
XLogP0.39
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-buta-2,3-dien-2-yloxyethanol
CID 130286219
1-hydroxyethyl N-methylcarbamate
CID 21270273
1-hydroxyethyl 2-oxoacetate
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1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
1-hydroxyethyl hypobromite
CID 141268184
ethane;1-methoxyethanol
CID 157348595
trisodium;acetic acid;ethane-1,2-diamine;hydride;1-hydroxyethyl acetate
CID 173012701
1-hydroxyethyl 2-bromoacetate
CID 139604093
but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate
CID 87377367
disodium;acetic acid;hydride;1-hydroxyethyl cyanoformate
CID 173459938
1-(1-hydroxyethoxyperoxy)ethanol
CID 87454274
1-hydroxyethyl 2-chloroprop-2-enoate
CID 22155739

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl N-methylethanimidate?
The IUPAC name of 1-hydroxyethyl N-methylethanimidate (CID 88562945) is 1-hydroxyethyl N-methylethanimidate.
What is the SMILES notation for 1-hydroxyethyl N-methylethanimidate?
The canonical SMILES for 1-hydroxyethyl N-methylethanimidate is C/N=C(\C)OC(C)O.
What is the InChIKey of 1-hydroxyethyl N-methylethanimidate?
The InChIKey is QFSNTYBRAZOSGP-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(6-3)8-5(2)7/h5,7H,1-3H3/b6-4+.
What are the key properties of 1-hydroxyethyl N-methylethanimidate?
1-hydroxyethyl N-methylethanimidate has a molecular weight of 117.15 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl N-methylethanimidate is sourced from PubChem (CID 88562945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).