(2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole

C15H12N2 — CID 12984627

IUPAC(2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole
SMILESC1=C/C(=C(\c2ccccc2)c2ccc[nH]2)N=C1
InChIInChI=1S/C15H12N2/c1-2-6-12(7-3-1)15(13-8-4-10-16-13)14-9-5-11-17-14/h1-11,16H/b15-14-
InChIKeyNEQSMFDDRBWXRH-PFONDFGASA-N
MW220.28 g/mol
LogP3.41
Rot. Bonds2

About (2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole

(2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole (PubChem CID 12984627) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is (2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole.

Molecular Properties

Compound Name(2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole
PubChem CID12984627
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name(2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole
SMILESC1=C/C(=C(\c2ccccc2)c2ccc[nH]2)N=C1
InChIInChI=1S/C15H12N2/c1-2-6-12(7-3-1)15(13-8-4-10-16-13)14-9-5-11-17-14/h1-11,16H/b15-14-
InChIKeyNEQSMFDDRBWXRH-PFONDFGASA-N
XLogP3.41
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole?
The IUPAC name of (2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole (CID 12984627) is (2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole.
What is the SMILES notation for (2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole?
The canonical SMILES for (2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole is C1=C/C(=C(\c2ccccc2)c2ccc[nH]2)N=C1.
What is the InChIKey of (2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole?
The InChIKey is NEQSMFDDRBWXRH-PFONDFGASA-N. The full InChI is InChI=1S/C15H12N2/c1-2-6-12(7-3-1)15(13-8-4-10-16-13)14-9-5-11-17-14/h1-11,16H/b15-14-.
What are the key properties of (2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole?
(2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole has a molecular weight of 220.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrole is sourced from PubChem (CID 12984627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).