(2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole

C24H33N3 — CID 145180858

IUPAC(2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
SMILESCCCCCCCCc1ccc(/C=C2\N=C(c3ccc[nH]3)C(CC)=C2C)[nH]1
InChIInChI=1S/C24H33N3/c1-4-6-7-8-9-10-12-19-14-15-20(26-19)17-23-18(3)21(5-2)24(27-23)22-13-11-16-25-22/h11,13-17,25-26H,4-10,12H2,1-3H3/b23-17-
InChIKeyKVCQYUCVJGBXJN-QJOMJCCJSA-N
MW363.55 g/mol
LogP6.82
Rot. Bonds10

About (2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole

(2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole (PubChem CID 145180858) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is (2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole.

Molecular Properties

Compound Name(2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
PubChem CID145180858
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name(2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
SMILESCCCCCCCCc1ccc(/C=C2\N=C(c3ccc[nH]3)C(CC)=C2C)[nH]1
InChIInChI=1S/C24H33N3/c1-4-6-7-8-9-10-12-19-14-15-20(26-19)17-23-18(3)21(5-2)24(27-23)22-13-11-16-25-22/h11,13-17,25-26H,4-10,12H2,1-3H3/b23-17-
InChIKeyKVCQYUCVJGBXJN-QJOMJCCJSA-N
XLogP6.82
TPSA43.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
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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Related Compounds

(2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 145180859
(2Z)-4-ethyl-2-[[3-[(4-fluorophenyl)methyl]-5-heptyl-1H-pyrrol-2-yl]methylidene]-3-methyl-5-(1H-pyrrol-2-yl)pyrrole
CID 137053687
3-propoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 136834288
(2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 135802867
3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole
CID 135740410
(2Z)-2-[(5-decyl-1H-pyrrol-2-yl)methylidene]-3-ethoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 135704039
(2Z)-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]-1H-pyrrol-3-one
CID 10714765
2-[[5-(5-phenoxypentyl)-1H-pyrrol-2-yl]methylidene]-3-propoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 152780873
methyl 4-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole-3-carboxylate
CID 70133253
2-hexacosyl-1H-pyrrole
CID 173177329
2-henicosyl-1H-pyrrole
CID 173176320
3-methoxy-2-[[5-(5-phenoxypentyl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole;hydrochloride
CID 172851640

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The IUPAC name of (2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole (CID 145180858) is (2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole.
What is the SMILES notation for (2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The canonical SMILES for (2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole is CCCCCCCCc1ccc(/C=C2\N=C(c3ccc[nH]3)C(CC)=C2C)[nH]1.
What is the InChIKey of (2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The InChIKey is KVCQYUCVJGBXJN-QJOMJCCJSA-N. The full InChI is InChI=1S/C24H33N3/c1-4-6-7-8-9-10-12-19-14-15-20(26-19)17-23-18(3)21(5-2)24(27-23)22-13-11-16-25-22/h11,13-17,25-26H,4-10,12H2,1-3H3/b23-17-.
What are the key properties of (2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
(2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole has a molecular weight of 363.55 g/mol, XLogP of 6.82, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole is sourced from PubChem (CID 145180858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).