(2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole

C25H34N2O2 — CID 53391816

IUPAC(2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
SMILESCCCCCCCCCCCc1ccc(/C=C2\N=C(c3ccco3)C=C2OC)[nH]1
InChIInChI=1S/C25H34N2O2/c1-3-4-5-6-7-8-9-10-11-13-20-15-16-21(26-20)18-22-25(28-2)19-23(27-22)24-14-12-17-29-24/h12,14-19,26H,3-11,13H2,1-2H3/b22-18-
InChIKeyNCRPZKZNZGWQCX-PYCFMQQDSA-N
MW394.56 g/mol
LogP7.06
Rot. Bonds13

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

(2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole (PubChem CID 53391816) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is (2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole.

Molecular Properties

Compound Name(2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
PubChem CID53391816
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name(2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
SMILESCCCCCCCCCCCc1ccc(/C=C2\N=C(c3ccco3)C=C2OC)[nH]1
InChIInChI=1S/C25H34N2O2/c1-3-4-5-6-7-8-9-10-11-13-20-15-16-21(26-20)18-22-25(28-2)19-23(27-22)24-14-12-17-29-24/h12,14-19,26H,3-11,13H2,1-2H3/b22-18-
InChIKeyNCRPZKZNZGWQCX-PYCFMQQDSA-N
XLogP7.06
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole?
The IUPAC name of (2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole (CID 53391816) is (2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole.
What is the SMILES notation for (2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole?
The canonical SMILES for (2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole is CCCCCCCCCCCc1ccc(/C=C2\N=C(c3ccco3)C=C2OC)[nH]1.
What is the InChIKey of (2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole?
The InChIKey is NCRPZKZNZGWQCX-PYCFMQQDSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-3-4-5-6-7-8-9-10-11-13-20-15-16-21(26-20)18-22-25(28-2)19-23(27-22)24-14-12-17-29-24/h12,14-19,26H,3-11,13H2,1-2H3/b22-18-.
What are the key properties of (2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole?
(2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole has a molecular weight of 394.56 g/mol, XLogP of 7.06, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-(furan-2-yl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole is sourced from PubChem (CID 53391816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).