1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one

C10H15NO — CID 45088851

IUPAC1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one
SMILESCC1=C2CCCN2C(=O)C1(C)C
InChIInChI=1S/C10H15NO/c1-7-8-5-4-6-11(8)9(12)10(7,2)3/h4-6H2,1-3H3
InChIKeyWZSMBQNIFFRIHB-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.92
Rot. Bonds

About 1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one

1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one (PubChem CID 45088851) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one.

Molecular Properties

Compound Name1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one
PubChem CID45088851
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one
SMILESCC1=C2CCCN2C(=O)C1(C)C
InChIInChI=1S/C10H15NO/c1-7-8-5-4-6-11(8)9(12)10(7,2)3/h4-6H2,1-3H3
InChIKeyWZSMBQNIFFRIHB-UHFFFAOYSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2,5,5-Trimethylhex-2-en-3-yl)pyrrolidin-2-one
CID 89450246
7-Methyl-2,3-dihydro-1H-pyrrolizin-5(6H)-one
CID 13113487
7-Methyl-1,2,5,6-tetrahydropyrrolizin-3-one
CID 101049778

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one?
The IUPAC name of 1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one (CID 45088851) is 1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one.
What is the SMILES notation for 1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one?
The canonical SMILES for 1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one is CC1=C2CCCN2C(=O)C1(C)C.
What is the InChIKey of 1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one?
The InChIKey is WZSMBQNIFFRIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-8-5-4-6-11(8)9(12)10(7,2)3/h4-6H2,1-3H3.
What are the key properties of 1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one?
1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one is sourced from PubChem (CID 45088851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).