2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole

C17H14N2 — CID 135190897

IUPAC2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole
SMILESC=C1C=CC(/C(c2ccccc2)=c2/ccc(=C)[nH]2)=N1
InChIInChI=1S/C17H14N2/c1-12-8-10-15(18-12)17(14-6-4-3-5-7-14)16-11-9-13(2)19-16/h3-11,18H,1-2H2/b17-15-
InChIKeyIBJIITMRIOQTPT-ICFOKQHNSA-N
MW246.31 g/mol
LogP2.15
Rot. Bonds2

About 2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole

2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole (PubChem CID 135190897) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole.

Molecular Properties

Compound Name2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole
PubChem CID135190897
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole
SMILESC=C1C=CC(/C(c2ccccc2)=c2/ccc(=C)[nH]2)=N1
InChIInChI=1S/C17H14N2/c1-12-8-10-15(18-12)17(14-6-4-3-5-7-14)16-11-9-13(2)19-16/h3-11,18H,1-2H2/b17-15-
InChIKeyIBJIITMRIOQTPT-ICFOKQHNSA-N
XLogP2.15
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole?
The IUPAC name of 2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole (CID 135190897) is 2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole.
What is the SMILES notation for 2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole?
The canonical SMILES for 2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole is C=C1C=CC(/C(c2ccccc2)=c2/ccc(=C)[nH]2)=N1.
What is the InChIKey of 2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole?
The InChIKey is IBJIITMRIOQTPT-ICFOKQHNSA-N. The full InChI is InChI=1S/C17H14N2/c1-12-8-10-15(18-12)17(14-6-4-3-5-7-14)16-11-9-13(2)19-16/h3-11,18H,1-2H2/b17-15-.
What are the key properties of 2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole?
2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole has a molecular weight of 246.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-[(Z)-(5-methylidenepyrrol-2-ylidene)-phenylmethyl]pyrrole is sourced from PubChem (CID 135190897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).