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

C19H16N4 — CID 135011511

IUPAC2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole
SMILESC1=C/C(=C/c2ccc(/C=c3/cc/c(=C/c4ccc[nH]4)[nH]3)[nH]2)N=C1
InChIInChI=1S/C19H16N4/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/h1-13,20,22-23H/b15-12-,16-11-,18-13-
InChIKeyLKUIUQBMNQJVRM-GKQSCNNHSA-N
MW300.37 g/mol
LogP2.31
Rot. Bonds3

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

2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole (PubChem CID 135011511) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole
PubChem CID135011511
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole
SMILESC1=C/C(=C/c2ccc(/C=c3/cc/c(=C/c4ccc[nH]4)[nH]3)[nH]2)N=C1
InChIInChI=1S/C19H16N4/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/h1-13,20,22-23H/b15-12-,16-11-,18-13-
InChIKeyLKUIUQBMNQJVRM-GKQSCNNHSA-N
XLogP2.31
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole?
The IUPAC name of 2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole (CID 135011511) is 2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole?
The canonical SMILES for 2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole is C1=C/C(=C/c2ccc(/C=c3/cc/c(=C/c4ccc[nH]4)[nH]3)[nH]2)N=C1.
What is the InChIKey of 2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole?
The InChIKey is LKUIUQBMNQJVRM-GKQSCNNHSA-N. The full InChI is InChI=1S/C19H16N4/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/h1-13,20,22-23H/b15-12-,16-11-,18-13-.
What are the key properties of 2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole?
2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole has a molecular weight of 300.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-pyrrol-2-ylidenemethyl]-5-[(Z)-[(5Z)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrole is sourced from PubChem (CID 135011511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).