1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one

C13H18N2O3 — CID 3388614

IUPAC1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one
SMILESCCCC(=O)c1c[nH]c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c1-2-3-12(16)10-8-11(14-9-10)13(17)15-4-6-18-7-5-15/h8-9,14H,2-7H2,1H3
InChIKeyBFLGRDDYHAAZOH-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.47
Rot. Bonds4

About 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one

1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one (PubChem CID 3388614) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one
PubChem CID3388614
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one
SMILESCCCC(=O)c1c[nH]c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c1-2-3-12(16)10-8-11(14-9-10)13(17)15-4-6-18-7-5-15/h8-9,14H,2-7H2,1H3
InChIKeyBFLGRDDYHAAZOH-UHFFFAOYSA-N
XLogP1.47
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one?
The IUPAC name of 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one (CID 3388614) is 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one.
What is the SMILES notation for 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one?
The canonical SMILES for 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one is CCCC(=O)c1c[nH]c(C(=O)N2CCOCC2)c1.
What is the InChIKey of 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one?
The InChIKey is BFLGRDDYHAAZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-12(16)10-8-11(14-9-10)13(17)15-4-6-18-7-5-15/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one?
1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one has a molecular weight of 250.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one is sourced from PubChem (CID 3388614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).