(3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone

C12H18BrN3O — CID 103575979

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
SMILESCCn1cc(Br)cc1C(=O)N1CC(C)C(N)C1
InChIInChI=1S/C12H18BrN3O/c1-3-15-6-9(13)4-11(15)12(17)16-5-8(2)10(14)7-16/h4,6,8,10H,3,5,7,14H2,1-2H3
InChIKeyGCQOGYQIWAKKEP-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.69
Rot. Bonds2

About (3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone

(3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone (PubChem CID 103575979) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
PubChem CID103575979
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
SMILESCCn1cc(Br)cc1C(=O)N1CC(C)C(N)C1
InChIInChI=1S/C12H18BrN3O/c1-3-15-6-9(13)4-11(15)12(17)16-5-8(2)10(14)7-16/h4,6,8,10H,3,5,7,14H2,1-2H3
InChIKeyGCQOGYQIWAKKEP-UHFFFAOYSA-N
XLogP1.69
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 43639622
(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43640671
1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 43639541
(4-bromo-1-ethylpyrrol-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 115661665
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
CID 120817530
(4-bromo-1-ethylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641435
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 103575707
2-[(2S)-4-(4-bromo-1-ethylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515313
3-[1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217490
(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone
CID 61295504
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
CID 120807398
(4-bromo-1-ethylpyrrol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63656389

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone (CID 103575979) is (3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone is CCn1cc(Br)cc1C(=O)N1CC(C)C(N)C1.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone?
The InChIKey is GCQOGYQIWAKKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-3-15-6-9(13)4-11(15)12(17)16-5-8(2)10(14)7-16/h4,6,8,10H,3,5,7,14H2,1-2H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone has a molecular weight of 300.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone is sourced from PubChem (CID 103575979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).