1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone

C11H16N2O2 — CID 43227706

IUPAC1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone
SMILESCn1ccc(C(=O)CN2CCOCC2)c1
InChIInChI=1S/C11H16N2O2/c1-12-3-2-10(8-12)11(14)9-13-4-6-15-7-5-13/h2-3,8H,4-7,9H2,1H3
InChIKeyVYVKVJYTYBLBDC-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.54
Rot. Bonds3

About 1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone

1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone (PubChem CID 43227706) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone
PubChem CID43227706
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone
SMILESCn1ccc(C(=O)CN2CCOCC2)c1
InChIInChI=1S/C11H16N2O2/c1-12-3-2-10(8-12)11(14)9-13-4-6-15-7-5-13/h2-3,8H,4-7,9H2,1H3
InChIKeyVYVKVJYTYBLBDC-UHFFFAOYSA-N
XLogP0.54
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]piperidin-4-one
CID 62053398
4-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]morpholin-3-one
CID 79467616
2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 63158466
2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 79187889
2-(3,3-dimethylmorpholin-4-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 61432707
1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
CID 24747690
2-morpholin-4-yl-1-(4-propylphenyl)ethanone
CID 43219458
2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 43227667
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 63151032
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone
CID 93194137

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone (CID 43227706) is 1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone is Cn1ccc(C(=O)CN2CCOCC2)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone?
The InChIKey is VYVKVJYTYBLBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-3-2-10(8-12)11(14)9-13-4-6-15-7-5-13/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone?
1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone has a molecular weight of 208.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 43227706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).