4-ethylmorpholine;formic acid

C7H15NO3 — CID 158286088

IUPAC4-ethylmorpholine;formic acid
SMILESCCN1CCOCC1.O=CO
InChIInChI=1S/C6H13NO.CH2O2/c1-2-7-3-5-8-6-4-7;2-1-3/h2-6H2,1H3;1H,(H,2,3)
InChIKeyGKULLKZIYZGZJY-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.04
Rot. Bonds1

About 4-ethylmorpholine;formic acid

4-ethylmorpholine;formic acid (PubChem CID 158286088) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-ethylmorpholine;formic acid.

Molecular Properties

Compound Name4-ethylmorpholine;formic acid
PubChem CID158286088
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name4-ethylmorpholine;formic acid
SMILESCCN1CCOCC1.O=CO
InChIInChI=1S/C6H13NO.CH2O2/c1-2-7-3-5-8-6-4-7;2-1-3/h2-6H2,1H3;1H,(H,2,3)
InChIKeyGKULLKZIYZGZJY-UHFFFAOYSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethylmorpholine;hydron
CID 174383624
astatane;4-ethylmorpholine
CID 174883073
ethane;4-ethylmorpholine;propan-2-ol
CID 172575881
2-[13,16-bis(carboxymethyl)-7-ethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetic acid
CID 156838378
N,N-dimethylacetamide;ethane;4-ethylmorpholine
CID 164557325
4-ethyl-1,4-oxazocane
CID 123629290
2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol
CID 14611743
formic acid;4-(4-methylpentyl)morpholine
CID 172564161
7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 134951653
2-(dimethylamino)ethanol;4-ethylmorpholine
CID 174947798
4-butylmorpholine;N,N-dimethylformamide
CID 178173228
8-ethyl-1,4-dioxa-8-azaspiro[4.5]decane;4-ethylmorpholine
CID 91090838

Frequently Asked Questions

What is the IUPAC name of 4-ethylmorpholine;formic acid?
The IUPAC name of 4-ethylmorpholine;formic acid (CID 158286088) is 4-ethylmorpholine;formic acid.
What is the SMILES notation for 4-ethylmorpholine;formic acid?
The canonical SMILES for 4-ethylmorpholine;formic acid is CCN1CCOCC1.O=CO.
What is the InChIKey of 4-ethylmorpholine;formic acid?
The InChIKey is GKULLKZIYZGZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.CH2O2/c1-2-7-3-5-8-6-4-7;2-1-3/h2-6H2,1H3;1H,(H,2,3).
What are the key properties of 4-ethylmorpholine;formic acid?
4-ethylmorpholine;formic acid has a molecular weight of 161.20 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylmorpholine;formic acid is sourced from PubChem (CID 158286088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).