1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one

C19H31NO — CID 6442887

IUPAC1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCC1=O
InChIInChI=1S/C19H31NO/c1-16(2)8-5-9-17(3)10-6-11-18(4)13-15-20-14-7-12-19(20)21/h8,10,13H,5-7,9,11-12,14-15H2,1-4H3/b17-10+,18-13+
InChIKeyBFLJGULWRXVLSC-YAUBYZHOSA-N
MW289.46 g/mol
LogP5.03
Rot. Bonds8

About 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one

1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one (PubChem CID 6442887) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one
PubChem CID6442887
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCC1=O
InChIInChI=1S/C19H31NO/c1-16(2)8-5-9-17(3)10-6-11-18(4)13-15-20-14-7-12-19(20)21/h8,10,13H,5-7,9,11-12,14-15H2,1-4H3/b17-10+,18-13+
InChIKeyBFLJGULWRXVLSC-YAUBYZHOSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-((2E)-3,7-Dimethylocta-2,6-dien-1-yl)pyrrolidine-2,5-dione
CID 6443498
1-[3-(3,7-Dimethylocta-2,6-dienylamino)propyl]pyrrolidin-2-one
CID 68285384
l-Geranylazacyclopentan-2-one
CID 24875474
1-(3,7-Dimethylocta-2,6-dienyl)pyrrolidine-2,5-dione
CID 190630
1-(4-Methylpent-3-enyl)pyrrolidine-2,5-dione
CID 86097288
5,8,11,14,17-Eicosapentaenoic acid, pyrrolidide
CID 91705061
7-Methyl-6-hexadecenoic acid pyrrolidide
CID 129725029
N-2,7-octadienylpyrrolidone
CID 129813034
2-Cyclohexa-1,4-dien-1-yl-1-pyrrolidin-1-ylethanone
CID 162398825
1-[(E,3S)-hept-4-en-3-yl]pyrrolidin-2-one
CID 162416860
1-[(E,3R)-hept-4-en-3-yl]pyrrolidin-2-one
CID 162417010
1-[3-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 50984404

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one (CID 6442887) is 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCC1=O.
What is the InChIKey of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one?
The InChIKey is BFLJGULWRXVLSC-YAUBYZHOSA-N. The full InChI is InChI=1S/C19H31NO/c1-16(2)8-5-9-17(3)10-6-11-18(4)13-15-20-14-7-12-19(20)21/h8,10,13H,5-7,9,11-12,14-15H2,1-4H3/b17-10+,18-13+.
What are the key properties of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one?
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one has a molecular weight of 289.46 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyrrolidin-2-one is sourced from PubChem (CID 6442887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).