8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione

C25H45NO2 — CID 151847312

IUPAC8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione
SMILESCCCCCCCCC1C(=O)CC2(CC)CC(=O)C(CCCCCCCC)N12
InChIInChI=1S/C25H45NO2/c1-4-7-9-11-13-15-17-21-23(27)19-25(6-3)20-24(28)22(26(21)25)18-16-14-12-10-8-5-2/h21-22H,4-20H2,1-3H3
InChIKeySHXVLKNOFZHSAA-UHFFFAOYSA-N
MW391.64 g/mol
LogP6.62
Rot. Bonds15

About 8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione

8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione (PubChem CID 151847312) has the molecular formula C25H45NO2 and a molecular weight of 391.64 g/mol. Its IUPAC name is 8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione.

Molecular Properties

Compound Name8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione
PubChem CID151847312
Molecular FormulaC25H45NO2
Molecular Weight391.64 g/mol
Exact Mass391.35
IUPAC Name8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione
SMILESCCCCCCCCC1C(=O)CC2(CC)CC(=O)C(CCCCCCCC)N12
InChIInChI=1S/C25H45NO2/c1-4-7-9-11-13-15-17-21-23(27)19-25(6-3)20-24(28)22(26(21)25)18-16-14-12-10-8-5-2/h21-22H,4-20H2,1-3H3
InChIKeySHXVLKNOFZHSAA-UHFFFAOYSA-N
XLogP6.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 70874004
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CID 102322610
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CID 174264263
4-hexyl-5-methylcyclopentane-1,3-dione
CID 54288765
3-butyl-1-heptylaziridin-2-one
CID 23178730
4-undecylcyclopentane-1,2-dione
CID 54303237
5,5-dimethyl-2-tetradecanoylcyclohexane-1,3-dione
CID 3760153
2-decylcyclopentan-1-one
CID 12823821
1-methyl-4-nonylazetidin-2-one
CID 70542920
(4R)-4-hexylcyclopentane-1,3-dione
CID 162980596
4-dodecyloxetan-2-one
CID 90110174
4,4-diethyl-2-pentylcyclohexan-1-one
CID 175308154

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione?
The IUPAC name of 8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione (CID 151847312) is 8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione.
What is the SMILES notation for 8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione?
The canonical SMILES for 8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione is CCCCCCCCC1C(=O)CC2(CC)CC(=O)C(CCCCCCCC)N12.
What is the InChIKey of 8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione?
The InChIKey is SHXVLKNOFZHSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO2/c1-4-7-9-11-13-15-17-21-23(27)19-25(6-3)20-24(28)22(26(21)25)18-16-14-12-10-8-5-2/h21-22H,4-20H2,1-3H3.
What are the key properties of 8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione?
8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione has a molecular weight of 391.64 g/mol, XLogP of 6.62, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,5-dioctyl-1,3,5,7-tetrahydropyrrolizine-2,6-dione is sourced from PubChem (CID 151847312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).