3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole

C19H29N — CID 53325633

IUPAC3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1cc[nH]c1
InChIInChI=1S/C19H29N/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-13-14-20-15-19/h7,9,11,13-15,20H,5-6,8,10,12H2,1-4H3/b17-9-,18-11-
InChIKeyUFHRNXHZZHHDOX-YYIZJUOFSA-N
MW271.45 g/mol
LogP5.98
Rot. Bonds8

About 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole

3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole (PubChem CID 53325633) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole
PubChem CID53325633
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1cc[nH]c1
InChIInChI=1S/C19H29N/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-13-14-20-15-19/h7,9,11,13-15,20H,5-6,8,10,12H2,1-4H3/b17-9-,18-11-
InChIKeyUFHRNXHZZHHDOX-YYIZJUOFSA-N
XLogP5.98
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole?
The IUPAC name of 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole (CID 53325633) is 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole.
What is the SMILES notation for 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole?
The canonical SMILES for 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole is CC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1cc[nH]c1.
What is the InChIKey of 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole?
The InChIKey is UFHRNXHZZHHDOX-YYIZJUOFSA-N. The full InChI is InChI=1S/C19H29N/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-13-14-20-15-19/h7,9,11,13-15,20H,5-6,8,10,12H2,1-4H3/b17-9-,18-11-.
What are the key properties of 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole?
3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole has a molecular weight of 271.45 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole is sourced from PubChem (CID 53325633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).