benzene;formic acid;morpholine

C11H17NO3 — CID 158324821

IUPACbenzene;formic acid;morpholine
SMILESC1COCCN1.O=CO.c1ccccc1
InChIInChI=1S/C6H6.C4H9NO.CH2O2/c1-2-4-6-5-3-1;1-3-6-4-2-5-1;2-1-3/h1-6H;5H,1-4H2;1H,(H,2,3)
InChIKeyGPGWJUPIJXOMQY-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.99
Rot. Bonds

About benzene;formic acid;morpholine

benzene;formic acid;morpholine (PubChem CID 158324821) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is benzene;formic acid;morpholine.

Molecular Properties

Compound Namebenzene;formic acid;morpholine
PubChem CID158324821
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namebenzene;formic acid;morpholine
SMILESC1COCCN1.O=CO.c1ccccc1
InChIInChI=1S/C6H6.C4H9NO.CH2O2/c1-2-4-6-5-3-1;1-3-6-4-2-5-1;2-1-3/h1-6H;5H,1-4H2;1H,(H,2,3)
InChIKeyGPGWJUPIJXOMQY-UHFFFAOYSA-N
XLogP0.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formic acid;morpholine
CID 13094120
morpholine;2-phenylacetaldehyde
CID 174954462
morpholine;nitroxyl
CID 160677899
morpholine;phenol
CID 155662712
morpholine;ruthenium(3+)
CID 162097690
sodium morpholine
CID 21469219
morpholine;piperazine
CID 22665942
CID 87713044
CID 87713044
1,4,7-trioxa-10-azacyclododecane
CID 545817
morpholine;sulfane
CID 70348588
hydroxy(trioxo)rhenium;morpholine
CID 174851241
benzenesulfinic acid;morpholine
CID 131853845

Frequently Asked Questions

What is the IUPAC name of benzene;formic acid;morpholine?
The IUPAC name of benzene;formic acid;morpholine (CID 158324821) is benzene;formic acid;morpholine.
What is the SMILES notation for benzene;formic acid;morpholine?
The canonical SMILES for benzene;formic acid;morpholine is C1COCCN1.O=CO.c1ccccc1.
What is the InChIKey of benzene;formic acid;morpholine?
The InChIKey is GPGWJUPIJXOMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H9NO.CH2O2/c1-2-4-6-5-3-1;1-3-6-4-2-5-1;2-1-3/h1-6H;5H,1-4H2;1H,(H,2,3).
What are the key properties of benzene;formic acid;morpholine?
benzene;formic acid;morpholine has a molecular weight of 211.26 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;formic acid;morpholine is sourced from PubChem (CID 158324821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).