morpholin-2-yl formate

C5H9NO3 — CID 91405229

IUPACmorpholin-2-yl formate
SMILESO=COC1CNCCO1
InChIInChI=1S/C5H9NO3/c7-4-9-5-3-6-1-2-8-5/h4-6H,1-3H2
InChIKeyYHTTWPIFTSXFTC-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.89
Rot. Bonds2

About morpholin-2-yl formate

morpholin-2-yl formate (PubChem CID 91405229) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is morpholin-2-yl formate.

Molecular Properties

Compound Namemorpholin-2-yl formate
PubChem CID91405229
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namemorpholin-2-yl formate
SMILESO=COC1CNCCO1
InChIInChI=1S/C5H9NO3/c7-4-9-5-3-6-1-2-8-5/h4-6H,1-3H2
InChIKeyYHTTWPIFTSXFTC-UHFFFAOYSA-N
XLogP-0.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxetan-2-yl formate
CID 54348589
morpholin-2-yl hydrogen carbonate
CID 70064874
morpholin-2-yl prop-2-enoate
CID 22497789
morpholin-2-yl carbamate
CID 165011060
1,4-oxazepan-6-yl formate;hydrochloride
CID 175544159
morpholin-2-yl 2-methylpent-2-enoate
CID 174849985
2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
2-morpholin-2-ylsulfinylmorpholine
CID 90151752
2-bromomorpholine;propanal
CID 174656620
1,3-oxazolidin-2-yl deuterioformate
CID 174653404
ethane;1-morpholin-2-ylethanone
CID 143224838
(2R)-2-(difluoromethyl)morpholine
CID 97296988

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl formate?
The IUPAC name of morpholin-2-yl formate (CID 91405229) is morpholin-2-yl formate.
What is the SMILES notation for morpholin-2-yl formate?
The canonical SMILES for morpholin-2-yl formate is O=COC1CNCCO1.
What is the InChIKey of morpholin-2-yl formate?
The InChIKey is YHTTWPIFTSXFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-4-9-5-3-6-1-2-8-5/h4-6H,1-3H2.
What are the key properties of morpholin-2-yl formate?
morpholin-2-yl formate has a molecular weight of 131.13 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl formate is sourced from PubChem (CID 91405229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).