3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one

C24H37NO3 — CID 123630074

IUPAC3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one
SMILESCC=CC(CC)CC1(CC(C)CC=C(C)C)CCN(C2=C(C)C(=O)OC2)C1=O
InChIInChI=1S/C24H37NO3/c1-7-9-20(8-2)15-24(14-18(5)11-10-17(3)4)12-13-25(23(24)27)21-16-28-22(26)19(21)6/h7,9-10,18,20H,8,11-16H2,1-6H3
InChIKeyNJOGVYNMNNUZJG-UHFFFAOYSA-N
MW387.56 g/mol
LogP5.41
Rot. Bonds9

About 3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one

3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one (PubChem CID 123630074) has the molecular formula C24H37NO3 and a molecular weight of 387.56 g/mol. Its IUPAC name is 3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one
PubChem CID123630074
Molecular FormulaC24H37NO3
Molecular Weight387.56 g/mol
Exact Mass387.28
IUPAC Name3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one
SMILESCC=CC(CC)CC1(CC(C)CC=C(C)C)CCN(C2=C(C)C(=O)OC2)C1=O
InChIInChI=1S/C24H37NO3/c1-7-9-20(8-2)15-24(14-18(5)11-10-17(3)4)12-13-25(23(24)27)21-16-28-22(26)19(21)6/h7,9-10,18,20H,8,11-16H2,1-6H3
InChIKeyNJOGVYNMNNUZJG-UHFFFAOYSA-N
XLogP5.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.56
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one (CID 123630074) is 3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one is CC=CC(CC)CC1(CC(C)CC=C(C)C)CCN(C2=C(C)C(=O)OC2)C1=O.
What is the InChIKey of 3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one?
The InChIKey is NJOGVYNMNNUZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO3/c1-7-9-20(8-2)15-24(14-18(5)11-10-17(3)4)12-13-25(23(24)27)21-16-28-22(26)19(21)6/h7,9-10,18,20H,8,11-16H2,1-6H3.
What are the key properties of 3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one?
3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one has a molecular weight of 387.56 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylhex-4-enyl)-3-(2-ethylpent-3-enyl)-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 123630074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).