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

C27H39N3O — CID 136834288

IUPAC3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
SMILESCCCCCCCCCCCc1ccc(C=C2N=C(c3ccc[nH]3)C=C2OCCC)[nH]1
InChIInChI=1S/C27H39N3O/c1-3-5-6-7-8-9-10-11-12-14-22-16-17-23(29-22)20-26-27(31-19-4-2)21-25(30-26)24-15-13-18-28-24/h13,15-18,20-21,28-29H,3-12,14,19H2,1-2H3
InChIKeyHOLUCDKVFVNTII-UHFFFAOYSA-N
MW421.63 g/mol
LogP7.57
Rot. Bonds15

About 3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole

3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole (PubChem CID 136834288) has the molecular formula C27H39N3O and a molecular weight of 421.63 g/mol. Its IUPAC name is 3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole.

Molecular Properties

Compound Name3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
PubChem CID136834288
Molecular FormulaC27H39N3O
Molecular Weight421.63 g/mol
Exact Mass421.31
IUPAC Name3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
SMILESCCCCCCCCCCCc1ccc(C=C2N=C(c3ccc[nH]3)C=C2OCCC)[nH]1
InChIInChI=1S/C27H39N3O/c1-3-5-6-7-8-9-10-11-12-14-22-16-17-23(29-22)20-26-27(31-19-4-2)21-25(30-26)24-15-13-18-28-24/h13,15-18,20-21,28-29H,3-12,14,19H2,1-2H3
InChIKeyHOLUCDKVFVNTII-UHFFFAOYSA-N
XLogP7.57
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.63
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-[(5-decyl-1H-pyrrol-2-yl)methylidene]-3-ethoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 135704039
2-[[5-(5-phenoxypentyl)-1H-pyrrol-2-yl]methylidene]-3-propoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 152780873
(2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 135802867
3-methoxy-2-[[5-(5-phenoxypentyl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole;hydrochloride
CID 172851640
2-[(5-decyl-1H-pyrrol-2-yl)methylidene]-3-ethoxy-5-(5-methyl-1H-pyrrol-2-yl)pyrrole;hydrochloride
CID 70136775
2-[(5-hexyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 136504340
(2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 145180858
2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 136834293
(2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 145180865
(2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one
CID 10714765
(2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 135544020
zinc bis(3-methoxy-2-[(5-methyl-4-pentylpyrrol-1-id-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole)
CID 135471925

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole?
The IUPAC name of 3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole (CID 136834288) is 3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole.
What is the SMILES notation for 3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole?
The canonical SMILES for 3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole is CCCCCCCCCCCc1ccc(C=C2N=C(c3ccc[nH]3)C=C2OCCC)[nH]1.
What is the InChIKey of 3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole?
The InChIKey is HOLUCDKVFVNTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O/c1-3-5-6-7-8-9-10-11-12-14-22-16-17-23(29-22)20-26-27(31-19-4-2)21-25(30-26)24-15-13-18-28-24/h13,15-18,20-21,28-29H,3-12,14,19H2,1-2H3.
What are the key properties of 3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole?
3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole has a molecular weight of 421.63 g/mol, XLogP of 7.57, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole is sourced from PubChem (CID 136834288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).