5,5-dimethyl-1-propylpyrrol-2-one

C9H15NO — CID 12008662

IUPAC5,5-dimethyl-1-propylpyrrol-2-one
SMILESCCCN1C(=O)C=CC1(C)C
InChIInChI=1S/C9H15NO/c1-4-7-10-8(11)5-6-9(10,2)3/h5-6H,4,7H2,1-3H3
InChIKeyABQHPWUINGCRIJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.57
Rot. Bonds2

About 5,5-dimethyl-1-propylpyrrol-2-one

5,5-dimethyl-1-propylpyrrol-2-one (PubChem CID 12008662) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5,5-dimethyl-1-propylpyrrol-2-one.

Molecular Properties

Compound Name5,5-dimethyl-1-propylpyrrol-2-one
PubChem CID12008662
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5,5-dimethyl-1-propylpyrrol-2-one
SMILESCCCN1C(=O)C=CC1(C)C
InChIInChI=1S/C9H15NO/c1-4-7-10-8(11)5-6-9(10,2)3/h5-6H,4,7H2,1-3H3
InChIKeyABQHPWUINGCRIJ-UHFFFAOYSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-propylpyrrol-2-one?
The IUPAC name of 5,5-dimethyl-1-propylpyrrol-2-one (CID 12008662) is 5,5-dimethyl-1-propylpyrrol-2-one.
What is the SMILES notation for 5,5-dimethyl-1-propylpyrrol-2-one?
The canonical SMILES for 5,5-dimethyl-1-propylpyrrol-2-one is CCCN1C(=O)C=CC1(C)C.
What is the InChIKey of 5,5-dimethyl-1-propylpyrrol-2-one?
The InChIKey is ABQHPWUINGCRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-7-10-8(11)5-6-9(10,2)3/h5-6H,4,7H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-propylpyrrol-2-one?
5,5-dimethyl-1-propylpyrrol-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-propylpyrrol-2-one is sourced from PubChem (CID 12008662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).