(4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone

C12H19N3O2 — CID 43644113

IUPAC(4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1cc(N)cn1C
InChIInChI=1S/C12H19N3O2/c1-3-10-8-17-5-4-15(10)12(16)11-6-9(13)7-14(11)2/h6-7,10H,3-5,8,13H2,1-2H3
InChIKeySOEUUBWOJGBINX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.86
Rot. Bonds2

About (4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone

(4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone (PubChem CID 43644113) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone
PubChem CID43644113
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1cc(N)cn1C
InChIInChI=1S/C12H19N3O2/c1-3-10-8-17-5-4-15(10)12(16)11-6-9(13)7-14(11)2/h6-7,10H,3-5,8,13H2,1-2H3
InChIKeySOEUUBWOJGBINX-UHFFFAOYSA-N
XLogP0.86
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate
CID 104774354
4-(4-amino-1-methylpyrrole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83099533
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591
(2-amino-5-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611588
(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone
CID 63117810
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
(5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone
CID 60905135
(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 114089389
(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 115999932
2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid
CID 103428878
(4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642026
(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
CID 78966403

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone (CID 43644113) is (4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone is CCC1COCCN1C(=O)c1cc(N)cn1C.
What is the InChIKey of (4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is SOEUUBWOJGBINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-10-8-17-5-4-15(10)12(16)11-6-9(13)7-14(11)2/h6-7,10H,3-5,8,13H2,1-2H3.
What are the key properties of (4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone?
(4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 0.86, 2 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)-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43644113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).