4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine

C17H19NO — CID 23312287

IUPAC4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2cc3cc4c(cc3o2)CCC4)CC1
InChIInChI=1S/C17H19NO/c1-18-7-5-12(6-8-18)16-11-15-9-13-3-2-4-14(13)10-17(15)19-16/h5,9-11H,2-4,6-8H2,1H3
InChIKeyUAILCXVHJWOEBM-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.64
Rot. Bonds1

About 4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine

4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 23312287) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID23312287
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2cc3cc4c(cc3o2)CCC4)CC1
InChIInChI=1S/C17H19NO/c1-18-7-5-12(6-8-18)16-11-15-9-13-3-2-4-14(13)10-17(15)19-16/h5,9-11H,2-4,6-8H2,1H3
InChIKeyUAILCXVHJWOEBM-UHFFFAOYSA-N
XLogP3.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 23312287) is 4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=C(c2cc3cc4c(cc3o2)CCC4)CC1.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is UAILCXVHJWOEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-18-7-5-12(6-8-18)16-11-15-9-13-3-2-4-14(13)10-17(15)19-16/h5,9-11H,2-4,6-8H2,1H3.
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 253.34 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 23312287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).