(5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine

C20H17BrN2O — CID 46855408

IUPAC(5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine
SMILESC=CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C2=NCCN=C21
InChIInChI=1S/C20H17BrN2O/c1-2-11-20(14-7-9-15(21)10-8-14)19-18(22-12-13-23-19)16-5-3-4-6-17(16)24-20/h2-10H,1,11-13H2/t20-/m0/s1
InChIKeyIZSNLNPZMHVBSY-FQEVSTJZSA-N
MW381.27 g/mol
LogP4.56
Rot. Bonds3

About (5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine

(5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine (PubChem CID 46855408) has the molecular formula C20H17BrN2O and a molecular weight of 381.27 g/mol. Its IUPAC name is (5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine.

Molecular Properties

Compound Name(5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine
PubChem CID46855408
Molecular FormulaC20H17BrN2O
Molecular Weight381.27 g/mol
Exact Mass380.05
IUPAC Name(5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine
SMILESC=CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C2=NCCN=C21
InChIInChI=1S/C20H17BrN2O/c1-2-11-20(14-7-9-15(21)10-8-14)19-18(22-12-13-23-19)16-5-3-4-6-17(16)24-20/h2-10H,1,11-13H2/t20-/m0/s1
InChIKeyIZSNLNPZMHVBSY-FQEVSTJZSA-N
XLogP4.56
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine?
The IUPAC name of (5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine (CID 46855408) is (5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine.
What is the SMILES notation for (5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine?
The canonical SMILES for (5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine is C=CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C2=NCCN=C21.
What is the InChIKey of (5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine?
The InChIKey is IZSNLNPZMHVBSY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17BrN2O/c1-2-11-20(14-7-9-15(21)10-8-14)19-18(22-12-13-23-19)16-5-3-4-6-17(16)24-20/h2-10H,1,11-13H2/t20-/m0/s1.
What are the key properties of (5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine?
(5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine has a molecular weight of 381.27 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-bromophenyl)-5-prop-2-enyl-2,3-dihydrochromeno[3,4-b]pyrazine is sourced from PubChem (CID 46855408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).