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

C12H19N3O2 — CID 43642024

IUPAC(4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCCn1cc(N)cc1C(=O)N1CCOC(C)C1
InChIInChI=1S/C12H19N3O2/c1-3-14-8-10(13)6-11(14)12(16)15-4-5-17-9(2)7-15/h6,8-9H,3-5,7,13H2,1-2H3
InChIKeyDLRPSGYNRWIYHC-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.95
Rot. Bonds2

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

(4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 43642024) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID43642024
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCCn1cc(N)cc1C(=O)N1CCOC(C)C1
InChIInChI=1S/C12H19N3O2/c1-3-14-8-10(13)6-11(14)12(16)15-4-5-17-9(2)7-15/h6,8-9H,3-5,7,13H2,1-2H3
InChIKeyDLRPSGYNRWIYHC-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43640671
(4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642026
(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81459512
1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 61106835
(4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79187908
(4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62774779
2-[(2S)-4-(4-bromo-1-ethylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515313
(4-amino-1-ethylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62347311
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317446
methyl 2-[4-(4-amino-1-methylpyrrole-2-carbonyl)morpholin-2-yl]acetate
CID 115533291
(2-amino-6-ethyl-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 113380956

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone (CID 43642024) is (4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone is CCn1cc(N)cc1C(=O)N1CCOC(C)C1.
What is the InChIKey of (4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is DLRPSGYNRWIYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-14-8-10(13)6-11(14)12(16)15-4-5-17-9(2)7-15/h6,8-9H,3-5,7,13H2,1-2H3.
What are the key properties of (4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone?
(4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 43642024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).