2,2-dimethyl-3H-pyrrolizin-1-one

C9H11NO — CID 89287918

IUPAC2,2-dimethyl-3H-pyrrolizin-1-one
SMILESCC1(C)Cn2cccc2C1=O
InChIInChI=1S/C9H11NO/c1-9(2)6-10-5-3-4-7(10)8(9)11/h3-5H,6H2,1-2H3
InChIKeyDQXWPYZRPONOIE-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.71
Rot. Bonds

About 2,2-dimethyl-3H-pyrrolizin-1-one

2,2-dimethyl-3H-pyrrolizin-1-one (PubChem CID 89287918) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,2-dimethyl-3H-pyrrolizin-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3H-pyrrolizin-1-one
PubChem CID89287918
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,2-dimethyl-3H-pyrrolizin-1-one
SMILESCC1(C)Cn2cccc2C1=O
InChIInChI=1S/C9H11NO/c1-9(2)6-10-5-3-4-7(10)8(9)11/h3-5H,6H2,1-2H3
InChIKeyDQXWPYZRPONOIE-UHFFFAOYSA-N
XLogP1.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-pyrrolizin-1-one?
The IUPAC name of 2,2-dimethyl-3H-pyrrolizin-1-one (CID 89287918) is 2,2-dimethyl-3H-pyrrolizin-1-one.
What is the SMILES notation for 2,2-dimethyl-3H-pyrrolizin-1-one?
The canonical SMILES for 2,2-dimethyl-3H-pyrrolizin-1-one is CC1(C)Cn2cccc2C1=O.
What is the InChIKey of 2,2-dimethyl-3H-pyrrolizin-1-one?
The InChIKey is DQXWPYZRPONOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-9(2)6-10-5-3-4-7(10)8(9)11/h3-5H,6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3H-pyrrolizin-1-one?
2,2-dimethyl-3H-pyrrolizin-1-one has a molecular weight of 149.19 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-pyrrolizin-1-one is sourced from PubChem (CID 89287918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).