(4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone

C11H15BrN2O2 — CID 35021801

IUPAC(4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)c[nH]2)CCO1
InChIInChI=1S/C11H15BrN2O2/c1-11(2)7-14(3-4-16-11)10(15)9-5-8(12)6-13-9/h5-6,13H,3-4,7H2,1-2H3
InChIKeyXMRBAJLRXIQZLI-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.03
Rot. Bonds1

About (4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone

(4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 35021801) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID35021801
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)c[nH]2)CCO1
InChIInChI=1S/C11H15BrN2O2/c1-11(2)7-14(3-4-16-11)10(15)9-5-8(12)6-13-9/h5-6,13H,3-4,7H2,1-2H3
InChIKeyXMRBAJLRXIQZLI-UHFFFAOYSA-N
XLogP2.03
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 35021801) is (4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2cc(Br)c[nH]2)CCO1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is XMRBAJLRXIQZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-11(2)7-14(3-4-16-11)10(15)9-5-8(12)6-13-9/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
(4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 287.16 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 35021801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).