(2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione

C27H43NO2 — CID 15069706

IUPAC(2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)N1CCCC1
InChIInChI=1S/C27H43NO2/c1-22(13-9-15-24(3)17-11-19-26(5)29)12-8-14-23(2)16-10-18-25(4)27(30)28-20-6-7-21-28/h13-14,17-18H,6-12,15-16,19-21H2,1-5H3/b22-13+,23-14+,24-17+,25-18+
InChIKeyWCQSXHGYJDIBIU-SFMPPAGDSA-N
MW413.65 g/mol
LogP7.10
Rot. Bonds13

About (2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione

(2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione (PubChem CID 15069706) has the molecular formula C27H43NO2 and a molecular weight of 413.65 g/mol. Its IUPAC name is (2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione.

Molecular Properties

Compound Name(2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione
PubChem CID15069706
Molecular FormulaC27H43NO2
Molecular Weight413.65 g/mol
Exact Mass413.33
IUPAC Name(2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)N1CCCC1
InChIInChI=1S/C27H43NO2/c1-22(13-9-15-24(3)17-11-19-26(5)29)12-8-14-23(2)16-10-18-25(4)27(30)28-20-6-7-21-28/h13-14,17-18H,6-12,15-16,19-21H2,1-5H3/b22-13+,23-14+,24-17+,25-18+
InChIKeyWCQSXHGYJDIBIU-SFMPPAGDSA-N
XLogP7.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione?
The IUPAC name of (2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione (CID 15069706) is (2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione.
What is the SMILES notation for (2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione?
The canonical SMILES for (2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione is CC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)N1CCCC1.
What is the InChIKey of (2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione?
The InChIKey is WCQSXHGYJDIBIU-SFMPPAGDSA-N. The full InChI is InChI=1S/C27H43NO2/c1-22(13-9-15-24(3)17-11-19-26(5)29)12-8-14-23(2)16-10-18-25(4)27(30)28-20-6-7-21-28/h13-14,17-18H,6-12,15-16,19-21H2,1-5H3/b22-13+,23-14+,24-17+,25-18+.
What are the key properties of (2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione?
(2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione has a molecular weight of 413.65 g/mol, XLogP of 7.10, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E)-2,6,10,14-tetramethyl-1-pyrrolidin-1-ylnonadeca-2,6,10,14-tetraene-1,18-dione is sourced from PubChem (CID 15069706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).