1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one

C14H23N3O2 — CID 115270975

IUPAC1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one
SMILESCNCC1COCCN1C(=O)CCCc1ccc[nH]1
InChIInChI=1S/C14H23N3O2/c1-15-10-13-11-19-9-8-17(13)14(18)6-2-4-12-5-3-7-16-12/h3,5,7,13,15-16H,2,4,6,8-11H2,1H3
InChIKeyFORPJLXAMDBXPB-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.78
Rot. Bonds6

About 1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one

1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one (PubChem CID 115270975) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one
PubChem CID115270975
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one
SMILESCNCC1COCCN1C(=O)CCCc1ccc[nH]1
InChIInChI=1S/C14H23N3O2/c1-15-10-13-11-19-9-8-17(13)14(18)6-2-4-12-5-3-7-16-12/h3,5,7,13,15-16H,2,4,6,8-11H2,1H3
InChIKeyFORPJLXAMDBXPB-UHFFFAOYSA-N
XLogP0.78
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 115270965
[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 115270933
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955
1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one
CID 136567969
1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one
CID 115270907
1-(3-hydroxypiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
CID 115277012
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
CID 115276035
3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one
CID 95380638
2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 115270475
(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125152832
4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 60842403
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one?
The IUPAC name of 1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one (CID 115270975) is 1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one.
What is the SMILES notation for 1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one?
The canonical SMILES for 1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one is CNCC1COCCN1C(=O)CCCc1ccc[nH]1.
What is the InChIKey of 1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one?
The InChIKey is FORPJLXAMDBXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-15-10-13-11-19-9-8-17(13)14(18)6-2-4-12-5-3-7-16-12/h3,5,7,13,15-16H,2,4,6,8-11H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one?
1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one has a molecular weight of 265.36 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one is sourced from PubChem (CID 115270975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).