3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole

C25H35N3O — CID 154703472

IUPAC3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole
SMILESCCCCCCCCCCCC1=N/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OC)C=C1
InChIInChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-13-20-15-16-21(27-20)18-24-25(29-2)19-23(28-24)22-14-12-17-26-22/h12,14-19,26,28H,3-11,13H2,1-2H3/b21-18+
InChIKeyOGBPBDMDXNFPCS-DYTRJAOYSA-N
MW393.58 g/mol
LogP7.29
Rot. Bonds13

About 3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole

3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole (PubChem CID 154703472) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole.

Molecular Properties

Compound Name3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole
PubChem CID154703472
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole
SMILESCCCCCCCCCCCC1=N/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OC)C=C1
InChIInChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-13-20-15-16-21(27-20)18-24-25(29-2)19-23(28-24)22-14-12-17-26-22/h12,14-19,26,28H,3-11,13H2,1-2H3/b21-18+
InChIKeyOGBPBDMDXNFPCS-DYTRJAOYSA-N
XLogP7.29
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.58
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Prodigiosin
CID 172897611
(2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 135762094
BE 18591
CID 197340
tambjamine K
CID 135934866
2-[(E)-2-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethenyl]-1,3,3-trimethylindol-1-ium iodide
CID 155546865
(10E)-4-methoxy-7,23,24-triazatricyclo[18.2.1.12,5]tetracosa-1(22),2,4,6,10,20-hexaene;hydrochloride
CID 166625349
N-but-3-enyl-1-[5-(5-dec-9-enyl-1H-pyrrol-2-yl)-3-methoxy-1H-pyrrol-2-yl]methanimine;hydrochloride
CID 166627721
Tambjamine I
CID 381030
(3Z)-3-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]indole
CID 44408122
1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine
CID 135908130
(2Z)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 135934867
Tambjamine C
CID 135610509

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole?
The IUPAC name of 3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole (CID 154703472) is 3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole.
What is the SMILES notation for 3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole?
The canonical SMILES for 3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole is CCCCCCCCCCCC1=N/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OC)C=C1.
What is the InChIKey of 3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole?
The InChIKey is OGBPBDMDXNFPCS-DYTRJAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-13-20-15-16-21(27-20)18-24-25(29-2)19-23(28-24)22-14-12-17-26-22/h12,14-19,26,28H,3-11,13H2,1-2H3/b21-18+.
What are the key properties of 3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole?
3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole has a molecular weight of 393.58 g/mol, XLogP of 7.29, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(1H-pyrrol-2-yl)-2-[(E)-(5-undecylpyrrol-2-ylidene)methyl]-1H-pyrrole is sourced from PubChem (CID 154703472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).