1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone

C13H19NO3 — CID 162740835

IUPAC1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(CCCN2CCOCC2)o1
InChIInChI=1S/C13H19NO3/c1-11(15)13-5-4-12(17-13)3-2-6-14-7-9-16-10-8-14/h4-5H,2-3,6-10H2,1H3
InChIKeyDGZZTLWVDFNPLQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.75
Rot. Bonds5

About 1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone

1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone (PubChem CID 162740835) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone
PubChem CID162740835
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(CCCN2CCOCC2)o1
InChIInChI=1S/C13H19NO3/c1-11(15)13-5-4-12(17-13)3-2-6-14-7-9-16-10-8-14/h4-5H,2-3,6-10H2,1H3
InChIKeyDGZZTLWVDFNPLQ-UHFFFAOYSA-N
XLogP1.75
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
1-[5-(morpholine-4-carbonyl)furan-2-yl]ethanone
CID 162740880
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 139348467
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-[3-(4,5-dimethylfuran-2-yl)propyl]morpholine
CID 170871309
4-[3-(5-thiophen-3-ylfuran-2-yl)propyl]morpholine
CID 170871269
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835
4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine
CID 170871274
4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine
CID 170871315
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone (CID 162740835) is 1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone is CC(=O)c1ccc(CCCN2CCOCC2)o1.
What is the InChIKey of 1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone?
The InChIKey is DGZZTLWVDFNPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-11(15)13-5-4-12(17-13)3-2-6-14-7-9-16-10-8-14/h4-5H,2-3,6-10H2,1H3.
What are the key properties of 1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone?
1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone has a molecular weight of 237.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone is sourced from PubChem (CID 162740835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).