1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one

C13H23NO — CID 89450246

IUPAC1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one
SMILESCC(C)=C(CC(C)(C)C)N1CCCC1=O
InChIInChI=1S/C13H23NO/c1-10(2)11(9-13(3,4)5)14-8-6-7-12(14)15/h6-9H2,1-5H3
InChIKeyGTIYODNDDWZJTP-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.34
Rot. Bonds2

About 1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one

1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one (PubChem CID 89450246) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one
PubChem CID89450246
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one
SMILESCC(C)=C(CC(C)(C)C)N1CCCC1=O
InChIInChI=1S/C13H23NO/c1-10(2)11(9-13(3,4)5)14-8-6-7-12(14)15/h6-9H2,1-5H3
InChIKeyGTIYODNDDWZJTP-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,3-Trimethyl-2-methylene-5-pyrrolidone
CID 89461222
1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one
CID 45088851
1,3,4-Trimethyl-5-propan-2-ylidenepyrrolidin-2-one
CID 20695519
1-Methyl-5-propan-2-ylidenepyrrolidin-2-one
CID 53878659
1,3,3,4,5-Pentamethylpyrrol-2-one
CID 57776431
1-(2-Propan-2-ylidenepyrrolidin-1-yl)ethanone
CID 58322144
3,3,4,5-Tetramethyl-1-propan-2-ylpyrrol-2-one
CID 59463802
1-(2,2,5-Trimethylhex-4-en-3-yl)pyrrolidin-2-one
CID 70862659
1-(3,3-Dimethylbutyl)-5-methylidenepyrrolidin-2-one
CID 126765759
Ethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one
CID 142107260
1,3-Dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-2-one
CID 154955540
1-[2,3-Di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one
CID 165379522

Frequently Asked Questions

What is the IUPAC name of 1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one (CID 89450246) is 1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one is CC(C)=C(CC(C)(C)C)N1CCCC1=O.
What is the InChIKey of 1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one?
The InChIKey is GTIYODNDDWZJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)11(9-13(3,4)5)14-8-6-7-12(14)15/h6-9H2,1-5H3.
What are the key properties of 1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one?
1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one has a molecular weight of 209.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,5-trimethylhex-2-en-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 89450246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).