4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine

C8H10Br2N2O — CID 159363867

IUPAC4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine
SMILESBrC1=C(Br)N=C(N2CCOCC2)C1
InChIInChI=1S/C8H10Br2N2O/c9-6-5-7(11-8(6)10)12-1-3-13-4-2-12/h1-5H2
InChIKeySCQPVRPCFAGELD-UHFFFAOYSA-N
MW309.99 g/mol
LogP2.08
Rot. Bonds

About 4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine

4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine (PubChem CID 159363867) has the molecular formula C8H10Br2N2O and a molecular weight of 309.99 g/mol. Its IUPAC name is 4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine.

Molecular Properties

Compound Name4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine
PubChem CID159363867
Molecular FormulaC8H10Br2N2O
Molecular Weight309.99 g/mol
Exact Mass307.92
IUPAC Name4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine
SMILESBrC1=C(Br)N=C(N2CCOCC2)C1
InChIInChI=1S/C8H10Br2N2O/c9-6-5-7(11-8(6)10)12-1-3-13-4-2-12/h1-5H2
InChIKeySCQPVRPCFAGELD-UHFFFAOYSA-N
XLogP2.08
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3,4,5-tetrahydropyridin-6-yl)morpholine
CID 130557563
3-(4-bromophenyl)-1,3-oxazolidine
CID 150695273
4-(6-methyl-3,4-dihydropyridin-2-yl)morpholine
CID 142249053
7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 45278194
4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
CID 66634232
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide
CID 110205704
4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 51000286
3-morpholin-4-yl-4H-1,2-benzoxazine
CID 68557365
2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione
CID 977254
4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine
CID 97180514
5-morpholin-4-yl-2-phenyl-4H-pyrazol-3-one
CID 3528705

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine?
The IUPAC name of 4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine (CID 159363867) is 4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine.
What is the SMILES notation for 4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine?
The canonical SMILES for 4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine is BrC1=C(Br)N=C(N2CCOCC2)C1.
What is the InChIKey of 4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine?
The InChIKey is SCQPVRPCFAGELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2O/c9-6-5-7(11-8(6)10)12-1-3-13-4-2-12/h1-5H2.
What are the key properties of 4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine?
4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine has a molecular weight of 309.99 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dibromo-3H-pyrrol-2-yl)morpholine is sourced from PubChem (CID 159363867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).