(5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole

C24H33N3 — CID 135476167

IUPAC(5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
SMILESCCCCCCCCCCCc1ccc(/C=C2/C=CC(c3ccc[nH]3)=N2)[nH]1
InChIInChI=1S/C24H33N3/c1-2-3-4-5-6-7-8-9-10-12-20-14-15-21(26-20)19-22-16-17-24(27-22)23-13-11-18-25-23/h11,13-19,25-26H,2-10,12H2,1H3/b22-19-
InChIKeyMTEMKDFDIADHNU-QOCHGBHMSA-N
MW363.55 g/mol
LogP6.82
Rot. Bonds12

About (5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole

(5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole (PubChem CID 135476167) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is (5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole.

Molecular Properties

Compound Name(5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
PubChem CID135476167
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name(5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
SMILESCCCCCCCCCCCc1ccc(/C=C2/C=CC(c3ccc[nH]3)=N2)[nH]1
InChIInChI=1S/C24H33N3/c1-2-3-4-5-6-7-8-9-10-12-20-14-15-21(26-20)19-22-16-17-24(27-22)23-13-11-18-25-23/h11,13-19,25-26H,2-10,12H2,1H3/b22-19-
InChIKeyMTEMKDFDIADHNU-QOCHGBHMSA-N
XLogP6.82
TPSA43.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole?
The IUPAC name of (5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole (CID 135476167) is (5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole.
What is the SMILES notation for (5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole?
The canonical SMILES for (5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole is CCCCCCCCCCCc1ccc(/C=C2/C=CC(c3ccc[nH]3)=N2)[nH]1.
What is the InChIKey of (5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole?
The InChIKey is MTEMKDFDIADHNU-QOCHGBHMSA-N. The full InChI is InChI=1S/C24H33N3/c1-2-3-4-5-6-7-8-9-10-12-20-14-15-21(26-20)19-22-16-17-24(27-22)23-13-11-18-25-23/h11,13-19,25-26H,2-10,12H2,1H3/b22-19-.
What are the key properties of (5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole?
(5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole has a molecular weight of 363.55 g/mol, XLogP of 6.82, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole is sourced from PubChem (CID 135476167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).