1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole

C24H29NO — CID 59832089

IUPAC1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole
SMILESCCCC1(CC)OCCc2c1[nH]c1c(CC)cc(-c3ccccc3)cc21
InChIInChI=1S/C24H29NO/c1-4-13-24(6-3)23-20(12-14-26-24)21-16-19(18-10-8-7-9-11-18)15-17(5-2)22(21)25-23/h7-11,15-16,25H,4-6,12-14H2,1-3H3
InChIKeyZMCCBOFMAAWUJS-UHFFFAOYSA-N
MW347.50 g/mol
LogP6.38
Rot. Bonds5

About 1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole

1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole (PubChem CID 59832089) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole.

Molecular Properties

Compound Name1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole
PubChem CID59832089
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole
SMILESCCCC1(CC)OCCc2c1[nH]c1c(CC)cc(-c3ccccc3)cc21
InChIInChI=1S/C24H29NO/c1-4-13-24(6-3)23-20(12-14-26-24)21-16-19(18-10-8-7-9-11-18)15-17(5-2)22(21)25-23/h7-11,15-16,25H,4-6,12-14H2,1-3H3
InChIKeyZMCCBOFMAAWUJS-UHFFFAOYSA-N
XLogP6.38
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole?
The IUPAC name of 1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole (CID 59832089) is 1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole.
What is the SMILES notation for 1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole?
The canonical SMILES for 1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole is CCCC1(CC)OCCc2c1[nH]c1c(CC)cc(-c3ccccc3)cc21.
What is the InChIKey of 1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole?
The InChIKey is ZMCCBOFMAAWUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-4-13-24(6-3)23-20(12-14-26-24)21-16-19(18-10-8-7-9-11-18)15-17(5-2)22(21)25-23/h7-11,15-16,25H,4-6,12-14H2,1-3H3.
What are the key properties of 1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole?
1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole has a molecular weight of 347.50 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole is sourced from PubChem (CID 59832089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).