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

C19H29N — CID 53325757

IUPAC2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1ccc[nH]1
InChIInChI=1S/C19H29N/c1-16(2)8-5-9-17(3)10-6-11-18(4)13-14-19-12-7-15-20-19/h7-8,10,12-13,15,20H,5-6,9,11,14H2,1-4H3/b17-10-,18-13-
InChIKeyVUXRFHFDHMATNZ-MMDZXYDWSA-N
MW271.45 g/mol
LogP5.98
Rot. Bonds8

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

2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole (PubChem CID 53325757) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole
PubChem CID53325757
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1ccc[nH]1
InChIInChI=1S/C19H29N/c1-16(2)8-5-9-17(3)10-6-11-18(4)13-14-19-12-7-15-20-19/h7-8,10,12-13,15,20H,5-6,9,11,14H2,1-4H3/b17-10-,18-13-
InChIKeyVUXRFHFDHMATNZ-MMDZXYDWSA-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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Related Compounds

2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
CID 54371000
1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
CID 101222163
2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan
CID 170313495
3-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]benzene-1,2-diol
CID 25244264
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentyl-1H-pyrrole
CID 156570794
2,3-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalene-1,4-dione
CID 53363554
2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one
CID 90993650
2-[(2E,6E,10E,14E,18E,22Z,26E,30E,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methylnaphthalene-1,4-diol
CID 175684261

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole?
The IUPAC name of 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole (CID 53325757) is 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole.
What is the SMILES notation for 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole?
The canonical SMILES for 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole is CC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1ccc[nH]1.
What is the InChIKey of 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole?
The InChIKey is VUXRFHFDHMATNZ-MMDZXYDWSA-N. The full InChI is InChI=1S/C19H29N/c1-16(2)8-5-9-17(3)10-6-11-18(4)13-14-19-12-7-15-20-19/h7-8,10,12-13,15,20H,5-6,9,11,14H2,1-4H3/b17-10-,18-13-.
What are the key properties of 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole?
2-[(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 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole is sourced from PubChem (CID 53325757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).