10-heptyl-[1]benzofuro[3,2-b]indole

C21H23NO — CID 164670990

IUPAC10-heptyl-[1]benzofuro[3,2-b]indole
SMILESCCCCCCCn1c2ccccc2c2oc3ccccc3c21
InChIInChI=1S/C21H23NO/c1-2-3-4-5-10-15-22-18-13-8-6-11-16(18)21-20(22)17-12-7-9-14-19(17)23-21/h6-9,11-14H,2-5,10,15H2,1H3
InChIKeyRRRAUSZATUKNBS-UHFFFAOYSA-N
MW305.42 g/mol
LogP6.51
Rot. Bonds6

About 10-heptyl-[1]benzofuro[3,2-b]indole

10-heptyl-[1]benzofuro[3,2-b]indole (PubChem CID 164670990) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 10-heptyl-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-heptyl-[1]benzofuro[3,2-b]indole
PubChem CID164670990
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name10-heptyl-[1]benzofuro[3,2-b]indole
SMILESCCCCCCCn1c2ccccc2c2oc3ccccc3c21
InChIInChI=1S/C21H23NO/c1-2-3-4-5-10-15-22-18-13-8-6-11-16(18)21-20(22)17-12-7-9-14-19(17)23-21/h6-9,11-14H,2-5,10,15H2,1H3
InChIKeyRRRAUSZATUKNBS-UHFFFAOYSA-N
XLogP6.51
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-heptyl-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-heptyl-[1]benzofuro[3,2-b]indole (CID 164670990) is 10-heptyl-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-heptyl-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-heptyl-[1]benzofuro[3,2-b]indole is CCCCCCCn1c2ccccc2c2oc3ccccc3c21.
What is the InChIKey of 10-heptyl-[1]benzofuro[3,2-b]indole?
The InChIKey is RRRAUSZATUKNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-2-3-4-5-10-15-22-18-13-8-6-11-16(18)21-20(22)17-12-7-9-14-19(17)23-21/h6-9,11-14H,2-5,10,15H2,1H3.
What are the key properties of 10-heptyl-[1]benzofuro[3,2-b]indole?
10-heptyl-[1]benzofuro[3,2-b]indole has a molecular weight of 305.42 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-heptyl-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164670990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).