1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone

C15H23N3O2 — CID 77091157

IUPAC1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(CN2CC(N3CCOCC3)C2)n(C)c1
InChIInChI=1S/C15H23N3O2/c1-12(19)13-7-14(16(2)8-13)9-17-10-15(11-17)18-3-5-20-6-4-18/h7-8,15H,3-6,9-11H2,1-2H3
InChIKeyBCQNKYXHWFDQPF-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.74
Rot. Bonds4

About 1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone

1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone (PubChem CID 77091157) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone
PubChem CID77091157
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(CN2CC(N3CCOCC3)C2)n(C)c1
InChIInChI=1S/C15H23N3O2/c1-12(19)13-7-14(16(2)8-13)9-17-10-15(11-17)18-3-5-20-6-4-18/h7-8,15H,3-6,9-11H2,1-2H3
InChIKeyBCQNKYXHWFDQPF-UHFFFAOYSA-N
XLogP0.74
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone (CID 77091157) is 1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone is CC(=O)c1cc(CN2CC(N3CCOCC3)C2)n(C)c1.
What is the InChIKey of 1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone?
The InChIKey is BCQNKYXHWFDQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(19)13-7-14(16(2)8-13)9-17-10-15(11-17)18-3-5-20-6-4-18/h7-8,15H,3-6,9-11H2,1-2H3.
What are the key properties of 1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone?
1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyrrol-3-yl]ethanone is sourced from PubChem (CID 77091157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).