3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole

C20H22N2O — CID 23370147

IUPAC3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole
SMILESC1=C(CCc2ccco2)CCN(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H22N2O/c1-2-6-20-19(5-1)17(14-21-20)15-22-11-9-16(10-12-22)7-8-18-4-3-13-23-18/h1-6,9,13-14,21H,7-8,10-12,15H2
InChIKeyKKEINXUDIXHUQK-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.53
Rot. Bonds5

About 3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole

3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole (PubChem CID 23370147) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole
PubChem CID23370147
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole
SMILESC1=C(CCc2ccco2)CCN(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H22N2O/c1-2-6-20-19(5-1)17(14-21-20)15-22-11-9-16(10-12-22)7-8-18-4-3-13-23-18/h1-6,9,13-14,21H,7-8,10-12,15H2
InChIKeyKKEINXUDIXHUQK-UHFFFAOYSA-N
XLogP4.53
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole?
The IUPAC name of 3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole (CID 23370147) is 3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole is C1=C(CCc2ccco2)CCN(Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole?
The InChIKey is KKEINXUDIXHUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-6-20-19(5-1)17(14-21-20)15-22-11-9-16(10-12-22)7-8-18-4-3-13-23-18/h1-6,9,13-14,21H,7-8,10-12,15H2.
What are the key properties of 3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole?
3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole has a molecular weight of 306.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 23370147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).