1,4-dimethyl-2-propyl-2H-pyrrol-5-one

C9H15NO — CID 13331590

IUPAC1,4-dimethyl-2-propyl-2H-pyrrol-5-one
SMILESCCCC1C=C(C)C(=O)N1C
InChIInChI=1S/C9H15NO/c1-4-5-8-6-7(2)9(11)10(8)3/h6,8H,4-5H2,1-3H3
InChIKeyMBDVNOOXNXEVAO-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.57
Rot. Bonds2

About 1,4-dimethyl-2-propyl-2H-pyrrol-5-one

1,4-dimethyl-2-propyl-2H-pyrrol-5-one (PubChem CID 13331590) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1,4-dimethyl-2-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1,4-dimethyl-2-propyl-2H-pyrrol-5-one
PubChem CID13331590
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1,4-dimethyl-2-propyl-2H-pyrrol-5-one
SMILESCCCC1C=C(C)C(=O)N1C
InChIInChI=1S/C9H15NO/c1-4-5-8-6-7(2)9(11)10(8)3/h6,8H,4-5H2,1-3H3
InChIKeyMBDVNOOXNXEVAO-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 1,4-dimethyl-2-propyl-2H-pyrrol-5-one?
The IUPAC name of 1,4-dimethyl-2-propyl-2H-pyrrol-5-one (CID 13331590) is 1,4-dimethyl-2-propyl-2H-pyrrol-5-one.
What is the SMILES notation for 1,4-dimethyl-2-propyl-2H-pyrrol-5-one?
The canonical SMILES for 1,4-dimethyl-2-propyl-2H-pyrrol-5-one is CCCC1C=C(C)C(=O)N1C.
What is the InChIKey of 1,4-dimethyl-2-propyl-2H-pyrrol-5-one?
The InChIKey is MBDVNOOXNXEVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-8-6-7(2)9(11)10(8)3/h6,8H,4-5H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-propyl-2H-pyrrol-5-one?
1,4-dimethyl-2-propyl-2H-pyrrol-5-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 1,4-dimethyl-2-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 13331590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).