(2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one

C24H33N3O — CID 10714765

IUPAC(2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one
SMILESCCCCCCCCCCCc1ccc(/C=C2\NC(c3ccc[nH]3)=CC2=O)[nH]1
InChIInChI=1S/C24H33N3O/c1-2-3-4-5-6-7-8-9-10-12-19-14-15-20(26-19)17-23-24(28)18-22(27-23)21-13-11-16-25-21/h11,13-18,25-27H,2-10,12H2,1H3/b23-17-
InChIKeyKYRVYWWXKCQRJM-QJOMJCCJSA-N
MW379.55 g/mol
LogP5.97
Rot. Bonds12

About (2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one

(2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one (PubChem CID 10714765) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one.

Molecular Properties

Compound Name(2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one
PubChem CID10714765
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one
SMILESCCCCCCCCCCCc1ccc(/C=C2\NC(c3ccc[nH]3)=CC2=O)[nH]1
InChIInChI=1S/C24H33N3O/c1-2-3-4-5-6-7-8-9-10-12-19-14-15-20(26-19)17-23-24(28)18-22(27-23)21-13-11-16-25-21/h11,13-18,25-27H,2-10,12H2,1H3/b23-17-
InChIKeyKYRVYWWXKCQRJM-QJOMJCCJSA-N
XLogP5.97
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one with MolForge

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Related Compounds

Undecylprodigiosin
CID 135515151
2,2'-Bi-1H-pyrrole, 4-methoxy-5-((5-undecyl-2H-pyrrol-2-ylidene)methyl)-
CID 135433360
(2Z)-2-[(5-hexadecyl-1H-pyrrol-2-yl)methylene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 136026122
(5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 135476167
2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one
CID 6445552
(1E,4Z,6E)-5-hydroxy-1,7-bis(1H-pyrrol-2-yl)hepta-1,4,6-trien-3-one
CID 155542650
2-(1H-pyrrole-2-carbonyl)-1H-pyrrole
CID 255663
1-(1H-pyrrol-2-yl)butan-1-one
CID 640307
Undecylprodiginine
CID 136248814
(2E,5E)-2,5-bis(1H-pyrrol-2-ylmethylidene)cyclopentan-1-one
CID 76321111
11-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]undecan-1-amine
CID 136099195
(E)-11-[5-[(E)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]undec-3-en-2-one
CID 136199863

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one?
The IUPAC name of (2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one (CID 10714765) is (2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one.
What is the SMILES notation for (2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one?
The canonical SMILES for (2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one is CCCCCCCCCCCc1ccc(/C=C2\NC(c3ccc[nH]3)=CC2=O)[nH]1.
What is the InChIKey of (2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one?
The InChIKey is KYRVYWWXKCQRJM-QJOMJCCJSA-N. The full InChI is InChI=1S/C24H33N3O/c1-2-3-4-5-6-7-8-9-10-12-19-14-15-20(26-19)17-23-24(28)18-22(27-23)21-13-11-16-25-21/h11,13-18,25-27H,2-10,12H2,1H3/b23-17-.
What are the key properties of (2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one?
(2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one has a molecular weight of 379.55 g/mol, XLogP of 5.97, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one is sourced from PubChem (CID 10714765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).