6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine

C19H20N2O — CID 118074727

IUPAC6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine
SMILESCCC1C=CN(c2c(C)ccc3c2oc2cccnc23)[C@H]1C
InChIInChI=1S/C19H20N2O/c1-4-14-9-11-21(13(14)3)18-12(2)7-8-15-17-16(22-19(15)18)6-5-10-20-17/h5-11,13-14H,4H2,1-3H3/t13-,14?/m0/s1
InChIKeyVGLNOHYYNTUMSW-LSLKUGRBSA-N
MW292.38 g/mol
LogP5.04
Rot. Bonds2

About 6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine

6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 118074727) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine
PubChem CID118074727
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine
SMILESCCC1C=CN(c2c(C)ccc3c2oc2cccnc23)[C@H]1C
InChIInChI=1S/C19H20N2O/c1-4-14-9-11-21(13(14)3)18-12(2)7-8-15-17-16(22-19(15)18)6-5-10-20-17/h5-11,13-14H,4H2,1-3H3/t13-,14?/m0/s1
InChIKeyVGLNOHYYNTUMSW-LSLKUGRBSA-N
XLogP5.04
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine 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 6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine (CID 118074727) is 6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine is CCC1C=CN(c2c(C)ccc3c2oc2cccnc23)[C@H]1C.
What is the InChIKey of 6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is VGLNOHYYNTUMSW-LSLKUGRBSA-N. The full InChI is InChI=1S/C19H20N2O/c1-4-14-9-11-21(13(14)3)18-12(2)7-8-15-17-16(22-19(15)18)6-5-10-20-17/h5-11,13-14H,4H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of 6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine?
6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 292.38 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-3-ethyl-2-methyl-2,3-dihydropyrrol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 118074727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).