3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one

C18H17N3O — CID 86100941

IUPAC3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one
SMILESCn1cccc1C1(c2cccn2C)C(=O)Nc2ccccc21
InChIInChI=1S/C18H17N3O/c1-20-11-5-9-15(20)18(16-10-6-12-21(16)2)13-7-3-4-8-14(13)19-17(18)22/h3-12H,1-2H3,(H,19,22)
InChIKeyLCCNWWWZDATITI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.65
Rot. Bonds2

About 3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one

3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one (PubChem CID 86100941) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one
PubChem CID86100941
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one
SMILESCn1cccc1C1(c2cccn2C)C(=O)Nc2ccccc21
InChIInChI=1S/C18H17N3O/c1-20-11-5-9-15(20)18(16-10-6-12-21(16)2)13-7-3-4-8-14(13)19-17(18)22/h3-12H,1-2H3,(H,19,22)
InChIKeyLCCNWWWZDATITI-UHFFFAOYSA-N
XLogP2.65
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one?
The IUPAC name of 3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one (CID 86100941) is 3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one.
What is the SMILES notation for 3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one?
The canonical SMILES for 3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one is Cn1cccc1C1(c2cccn2C)C(=O)Nc2ccccc21.
What is the InChIKey of 3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one?
The InChIKey is LCCNWWWZDATITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-20-11-5-9-15(20)18(16-10-6-12-21(16)2)13-7-3-4-8-14(13)19-17(18)22/h3-12H,1-2H3,(H,19,22).
What are the key properties of 3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one?
3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one has a molecular weight of 291.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one is sourced from PubChem (CID 86100941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).