4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole

C16H19N — CID 159404563

IUPAC4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole
SMILESCCCC1(C2=CN=CC2)Cc2ccccc2C1
InChIInChI=1S/C16H19N/c1-2-8-16(15-7-9-17-12-15)10-13-5-3-4-6-14(13)11-16/h3-6,9,12H,2,7-8,10-11H2,1H3
InChIKeyLNUCBUBLCPBTEM-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.93
Rot. Bonds3

About 4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole

4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole (PubChem CID 159404563) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole.

Molecular Properties

Compound Name4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole
PubChem CID159404563
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole
SMILESCCCC1(C2=CN=CC2)Cc2ccccc2C1
InChIInChI=1S/C16H19N/c1-2-8-16(15-7-9-17-12-15)10-13-5-3-4-6-14(13)11-16/h3-6,9,12H,2,7-8,10-11H2,1H3
InChIKeyLNUCBUBLCPBTEM-UHFFFAOYSA-N
XLogP3.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole?
The IUPAC name of 4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole (CID 159404563) is 4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole.
What is the SMILES notation for 4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole?
The canonical SMILES for 4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole is CCCC1(C2=CN=CC2)Cc2ccccc2C1.
What is the InChIKey of 4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole?
The InChIKey is LNUCBUBLCPBTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-8-16(15-7-9-17-12-15)10-13-5-3-4-6-14(13)11-16/h3-6,9,12H,2,7-8,10-11H2,1H3.
What are the key properties of 4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole?
4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole has a molecular weight of 225.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propyl-1,3-dihydroinden-2-yl)-3H-pyrrole is sourced from PubChem (CID 159404563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).