2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole

C19H18N4 — CID 57241488

IUPAC2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole
SMILESC(c1ccc[nH]1)=c1ccc(=Cc2ccc(Cc3ccc[nH]3)[nH]2)[nH]1
InChIInChI=1S/C19H18N4/c1-3-14(20-9-1)11-16-5-7-18(22-16)13-19-8-6-17(23-19)12-15-4-2-10-21-15/h1-11,13,20-23H,12H2
InChIKeyLSDGMSBPPKKMRH-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.25
Rot. Bonds4

About 2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole

2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole (PubChem CID 57241488) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole
PubChem CID57241488
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole
SMILESC(c1ccc[nH]1)=c1ccc(=Cc2ccc(Cc3ccc[nH]3)[nH]2)[nH]1
InChIInChI=1S/C19H18N4/c1-3-14(20-9-1)11-16-5-7-18(22-16)13-19-8-6-17(23-19)12-15-4-2-10-21-15/h1-11,13,20-23H,12H2
InChIKeyLSDGMSBPPKKMRH-UHFFFAOYSA-N
XLogP2.25
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole?
The IUPAC name of 2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole (CID 57241488) is 2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole.
What is the SMILES notation for 2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole?
The canonical SMILES for 2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole is C(c1ccc[nH]1)=c1ccc(=Cc2ccc(Cc3ccc[nH]3)[nH]2)[nH]1.
What is the InChIKey of 2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole?
The InChIKey is LSDGMSBPPKKMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-3-14(20-9-1)11-16-5-7-18(22-16)13-19-8-6-17(23-19)12-15-4-2-10-21-15/h1-11,13,20-23H,12H2.
What are the key properties of 2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole?
2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole has a molecular weight of 302.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-ylmethyl)-5-[[5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole is sourced from PubChem (CID 57241488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).