(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C14H21BrN2O3 — CID 102932964

IUPAC(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCCCn1cc(Br)cc1C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C14H21BrN2O3/c1-3-4-16-7-11(15)5-13(16)14(19)17-6-10(2)20-12(8-17)9-18/h5,7,10,12,18H,3-4,6,8-9H2,1-2H3
InChIKeyGJMJCAOPRRKCFH-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.88
Rot. Bonds4

About (4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102932964) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is (4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102932964
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCCCn1cc(Br)cc1C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C14H21BrN2O3/c1-3-4-16-7-11(15)5-13(16)14(19)17-6-10(2)20-12(8-17)9-18/h5,7,10,12,18H,3-4,6,8-9H2,1-2H3
InChIKeyGJMJCAOPRRKCFH-UHFFFAOYSA-N
XLogP1.88
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102932964) is (4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CCCn1cc(Br)cc1C(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of (4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is GJMJCAOPRRKCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-3-4-16-7-11(15)5-13(16)14(19)17-6-10(2)20-12(8-17)9-18/h5,7,10,12,18H,3-4,6,8-9H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 345.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102932964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).