8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole

C16H20N2 — CID 10354282

IUPAC8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole
SMILESc1cc2c3c(ccc2[nH]1)CCC(N1CCCC1)C3
InChIInChI=1S/C16H20N2/c1-2-10-18(9-1)13-5-3-12-4-6-16-14(7-8-17-16)15(12)11-13/h4,6-8,13,17H,1-3,5,9-11H2
InChIKeyZHYVAHQXIANQII-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.12
Rot. Bonds1

About 8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole

8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole (PubChem CID 10354282) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole.

Molecular Properties

Compound Name8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole
PubChem CID10354282
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole
SMILESc1cc2c3c(ccc2[nH]1)CCC(N1CCCC1)C3
InChIInChI=1S/C16H20N2/c1-2-10-18(9-1)13-5-3-12-4-6-16-14(7-8-17-16)15(12)11-13/h4,6-8,13,17H,1-3,5,9-11H2
InChIKeyZHYVAHQXIANQII-UHFFFAOYSA-N
XLogP3.12
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole?
The IUPAC name of 8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole (CID 10354282) is 8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole.
What is the SMILES notation for 8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole?
The canonical SMILES for 8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole is c1cc2c3c(ccc2[nH]1)CCC(N1CCCC1)C3.
What is the InChIKey of 8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole?
The InChIKey is ZHYVAHQXIANQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-10-18(9-1)13-5-3-12-4-6-16-14(7-8-17-16)15(12)11-13/h4,6-8,13,17H,1-3,5,9-11H2.
What are the key properties of 8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole?
8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole has a molecular weight of 240.35 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole is sourced from PubChem (CID 10354282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).