7-pyrrol-1-yl-1H-indole

C12H10N2 — CID 118078207

IUPAC7-pyrrol-1-yl-1H-indole
SMILESc1cc(-n2cccc2)c2[nH]ccc2c1
InChIInChI=1S/C12H10N2/c1-2-9-14(8-1)11-5-3-4-10-6-7-13-12(10)11/h1-9,13H
InChIKeyDPHAGYVDIDNUPL-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.96
Rot. Bonds1

About 7-pyrrol-1-yl-1H-indole

7-pyrrol-1-yl-1H-indole (PubChem CID 118078207) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 7-pyrrol-1-yl-1H-indole.

Molecular Properties

Compound Name7-pyrrol-1-yl-1H-indole
PubChem CID118078207
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name7-pyrrol-1-yl-1H-indole
SMILESc1cc(-n2cccc2)c2[nH]ccc2c1
InChIInChI=1S/C12H10N2/c1-2-9-14(8-1)11-5-3-4-10-6-7-13-12(10)11/h1-9,13H
InChIKeyDPHAGYVDIDNUPL-UHFFFAOYSA-N
XLogP2.96
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrol-1-yl-1H-indole?
The IUPAC name of 7-pyrrol-1-yl-1H-indole (CID 118078207) is 7-pyrrol-1-yl-1H-indole.
What is the SMILES notation for 7-pyrrol-1-yl-1H-indole?
The canonical SMILES for 7-pyrrol-1-yl-1H-indole is c1cc(-n2cccc2)c2[nH]ccc2c1.
What is the InChIKey of 7-pyrrol-1-yl-1H-indole?
The InChIKey is DPHAGYVDIDNUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-9-14(8-1)11-5-3-4-10-6-7-13-12(10)11/h1-9,13H.
What are the key properties of 7-pyrrol-1-yl-1H-indole?
7-pyrrol-1-yl-1H-indole has a molecular weight of 182.23 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrol-1-yl-1H-indole is sourced from PubChem (CID 118078207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).