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

C18H18N2O — CID 155542619

IUPAC3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CCN(Cc2ccco2)C1
InChIInChI=1S/C18H18N2O/c1-2-6-18-16(5-1)17(12-19-18)14-7-9-20(10-8-14)13-15-4-3-11-21-15/h1-7,11-12,19H,8-10,13H2
InChIKeyYYBRTGMBVYRIBV-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.05
Rot. Bonds3

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

3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 155542619) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID155542619
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CCN(Cc2ccco2)C1
InChIInChI=1S/C18H18N2O/c1-2-6-18-16(5-1)17(12-19-18)14-7-9-20(10-8-14)13-15-4-3-11-21-15/h1-7,11-12,19H,8-10,13H2
InChIKeyYYBRTGMBVYRIBV-UHFFFAOYSA-N
XLogP4.05
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 155542619) is 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is C1=C(c2c[nH]c3ccccc23)CCN(Cc2ccco2)C1.
What is the InChIKey of 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is YYBRTGMBVYRIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-6-18-16(5-1)17(12-19-18)14-7-9-20(10-8-14)13-15-4-3-11-21-15/h1-7,11-12,19H,8-10,13H2.
What are the key properties of 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 278.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 155542619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).