(4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C11H16BrN3O — CID 95376910

IUPAC(4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNC[C@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1
InChIInChI=1S/C11H16BrN3O/c1-13-5-8-2-3-15(7-8)11(16)10-4-9(12)6-14-10/h4,6,8,13-14H,2-3,5,7H2,1H3/t8-/m1/s1
InChIKeyMJENJJWQCROYFZ-MRVPVSSYSA-N
MW286.17 g/mol
LogP1.46
Rot. Bonds3

About (4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

(4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 95376910) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID95376910
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNC[C@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1
InChIInChI=1S/C11H16BrN3O/c1-13-5-8-2-3-15(7-8)11(16)10-4-9(12)6-14-10/h4,6,8,13-14H,2-3,5,7H2,1H3/t8-/m1/s1
InChIKeyMJENJJWQCROYFZ-MRVPVSSYSA-N
XLogP1.46
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-1H-pyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250702
(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775240
(4-bromothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538654
(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372670
(2,5-dibromothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113265618
(5-bromo-2-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540200
(5-bromo-3-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119541646
(4-bromo-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478388
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
4-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 63274163
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 32978533
[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540797

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 95376910) is (4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNC[C@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MJENJJWQCROYFZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-13-5-8-2-3-15(7-8)11(16)10-4-9(12)6-14-10/h4,6,8,13-14H,2-3,5,7H2,1H3/t8-/m1/s1.
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 286.17 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95376910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).