2-(1H-pyrrol-2-ylmethylidene)pyrrole

C9H8N2 — CID 3083424

IUPAC2-(1H-pyrrol-2-ylmethylidene)pyrrole
SMILESC1=CC(=Cc2ccc[nH]2)N=C1
InChIInChI=1S/C9H8N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-7,10H
InChIKeyOVTCUIZCVUGJHS-UHFFFAOYSA-N
MW144.18 g/mol
LogP2.00
Rot. Bonds1

About 2-(1H-pyrrol-2-ylmethylidene)pyrrole

2-(1H-pyrrol-2-ylmethylidene)pyrrole (PubChem CID 3083424) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-ylmethylidene)pyrrole.

Molecular Properties

Compound Name2-(1H-pyrrol-2-ylmethylidene)pyrrole
PubChem CID3083424
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2-(1H-pyrrol-2-ylmethylidene)pyrrole
SMILESC1=CC(=Cc2ccc[nH]2)N=C1
InChIInChI=1S/C9H8N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-7,10H
InChIKeyOVTCUIZCVUGJHS-UHFFFAOYSA-N
XLogP2.00
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-ylmethylidene)pyrrole?
The IUPAC name of 2-(1H-pyrrol-2-ylmethylidene)pyrrole (CID 3083424) is 2-(1H-pyrrol-2-ylmethylidene)pyrrole.
What is the SMILES notation for 2-(1H-pyrrol-2-ylmethylidene)pyrrole?
The canonical SMILES for 2-(1H-pyrrol-2-ylmethylidene)pyrrole is C1=CC(=Cc2ccc[nH]2)N=C1.
What is the InChIKey of 2-(1H-pyrrol-2-ylmethylidene)pyrrole?
The InChIKey is OVTCUIZCVUGJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-7,10H.
What are the key properties of 2-(1H-pyrrol-2-ylmethylidene)pyrrole?
2-(1H-pyrrol-2-ylmethylidene)pyrrole has a molecular weight of 144.18 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-ylmethylidene)pyrrole is sourced from PubChem (CID 3083424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).