2-morpholin-3-ylethyl formate

C7H13NO3 — CID 174402502

IUPAC2-morpholin-3-ylethyl formate
SMILESO=COCCC1COCCN1
InChIInChI=1S/C7H13NO3/c9-6-11-3-1-7-5-10-4-2-8-7/h6-8H,1-5H2
InChIKeyCHPPRZLJGBGINM-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.46
Rot. Bonds4

About 2-morpholin-3-ylethyl formate

2-morpholin-3-ylethyl formate (PubChem CID 174402502) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-morpholin-3-ylethyl formate.

Molecular Properties

Compound Name2-morpholin-3-ylethyl formate
PubChem CID174402502
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-morpholin-3-ylethyl formate
SMILESO=COCCC1COCCN1
InChIInChI=1S/C7H13NO3/c9-6-11-3-1-7-5-10-4-2-8-7/h6-8H,1-5H2
InChIKeyCHPPRZLJGBGINM-UHFFFAOYSA-N
XLogP-0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-3-ylpropyl formate
CID 174721455
N-(2-ethoxyethyl)-N-methyl-2-morpholin-3-ylethanamine
CID 81055134
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576
3-(2-cyclopentylethyl)morpholine
CID 116928258
3-(bromomethyl)morpholine
CID 70577689
3-(2-methylpropyl)morpholine
CID 20811826
3-prop-2-enyl-(313C)1,4-oxazinane
CID 173137376
tert-butyl 3-morpholin-3-ylpropanoate
CID 53408695
dimethyl-(2-morpholin-3-ylethylimino)-oxo-λ6-sulfane
CID 130855725
N-(2-amino-2-oxoethoxy)-2-morpholin-3-ylacetamide
CID 112674067
1-cyclopentyl-N-(morpholin-3-ylmethyl)methanamine
CID 115238062

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-3-ylethyl formate?
The IUPAC name of 2-morpholin-3-ylethyl formate (CID 174402502) is 2-morpholin-3-ylethyl formate.
What is the SMILES notation for 2-morpholin-3-ylethyl formate?
The canonical SMILES for 2-morpholin-3-ylethyl formate is O=COCCC1COCCN1.
What is the InChIKey of 2-morpholin-3-ylethyl formate?
The InChIKey is CHPPRZLJGBGINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-6-11-3-1-7-5-10-4-2-8-7/h6-8H,1-5H2.
What are the key properties of 2-morpholin-3-ylethyl formate?
2-morpholin-3-ylethyl formate has a molecular weight of 159.18 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-3-ylethyl formate is sourced from PubChem (CID 174402502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).