2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one

C9H15NO2 — CID 146290006

IUPAC2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one
SMILESCOC1C(C(C)C)=CC(=O)N1C
InChIInChI=1S/C9H15NO2/c1-6(2)7-5-8(11)10(3)9(7)12-4/h5-6,9H,1-4H3
InChIKeyGCTRELKHEGIEDZ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.01
Rot. Bonds2

About 2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one

2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one (PubChem CID 146290006) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one
PubChem CID146290006
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one
SMILESCOC1C(C(C)C)=CC(=O)N1C
InChIInChI=1S/C9H15NO2/c1-6(2)7-5-8(11)10(3)9(7)12-4/h5-6,9H,1-4H3
InChIKeyGCTRELKHEGIEDZ-UHFFFAOYSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one (CID 146290006) is 2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one is COC1C(C(C)C)=CC(=O)N1C.
What is the InChIKey of 2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is GCTRELKHEGIEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)7-5-8(11)10(3)9(7)12-4/h5-6,9H,1-4H3.
What are the key properties of 2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one?
2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 169.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 146290006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).