(4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone

C11H17N3O2 — CID 43642026

IUPAC(4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)cn2C)CCO1
InChIInChI=1S/C11H17N3O2/c1-8-6-14(3-4-16-8)11(15)10-5-9(12)7-13(10)2/h5,7-8H,3-4,6,12H2,1-2H3
InChIKeyDFZXKHPGGHTFLF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.47
Rot. Bonds1

About (4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone

(4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 43642026) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID43642026
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)cn2C)CCO1
InChIInChI=1S/C11H17N3O2/c1-8-6-14(3-4-16-8)11(15)10-5-9(12)7-13(10)2/h5,7-8H,3-4,6,12H2,1-2H3
InChIKeyDFZXKHPGGHTFLF-UHFFFAOYSA-N
XLogP0.47
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642024
methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate
CID 115533291
(4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114542489
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1-methylpyrrol-2-yl)methanone
CID 61108285
(4-amino-1-methylpyrrol-2-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63150471
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 61110247
(4-amino-1-methylpyrrol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 43643113
(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43640671
(4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone
CID 43644113
(4-amino-1-methylpyrrol-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43642458
(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 172654878

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone (CID 43642026) is (4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(N)cn2C)CCO1.
What is the InChIKey of (4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is DFZXKHPGGHTFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-6-14(3-4-16-8)11(15)10-5-9(12)7-13(10)2/h5,7-8H,3-4,6,12H2,1-2H3.
What are the key properties of (4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone?
(4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 43642026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).