7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole

C16H17NO — CID 172848637

IUPAC7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole
SMILESc1cc2c([nH]1)-c1cc(OC3CCCC3)ccc1C2
InChIInChI=1S/C16H17NO/c1-2-4-13(3-1)18-14-6-5-11-9-12-7-8-17-16(12)15(11)10-14/h5-8,10,13,17H,1-4,9H2
InChIKeyXTQDQABEKLDWAF-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.91
Rot. Bonds2

About 7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole

7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole (PubChem CID 172848637) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole.

Molecular Properties

Compound Name7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole
PubChem CID172848637
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole
SMILESc1cc2c([nH]1)-c1cc(OC3CCCC3)ccc1C2
InChIInChI=1S/C16H17NO/c1-2-4-13(3-1)18-14-6-5-11-9-12-7-8-17-16(12)15(11)10-14/h5-8,10,13,17H,1-4,9H2
InChIKeyXTQDQABEKLDWAF-UHFFFAOYSA-N
XLogP3.91
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole?
The IUPAC name of 7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole (CID 172848637) is 7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole.
What is the SMILES notation for 7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole?
The canonical SMILES for 7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole is c1cc2c([nH]1)-c1cc(OC3CCCC3)ccc1C2.
What is the InChIKey of 7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole?
The InChIKey is XTQDQABEKLDWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-4-13(3-1)18-14-6-5-11-9-12-7-8-17-16(12)15(11)10-14/h5-8,10,13,17H,1-4,9H2.
What are the key properties of 7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole?
7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole has a molecular weight of 239.32 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyloxy-1,4-dihydroindeno[1,2-b]pyrrole is sourced from PubChem (CID 172848637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).