3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one

C10H17NO2 — CID 146290013

IUPAC3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one
SMILESCOC1C(C(C)(C)C)=CC(=O)N1C
InChIInChI=1S/C10H17NO2/c1-10(2,3)7-6-8(12)11(4)9(7)13-5/h6,9H,1-5H3
InChIKeyWIPLYOWWDPBXNU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.40
Rot. Bonds1

About 3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one

3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one (PubChem CID 146290013) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one
PubChem CID146290013
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one
SMILESCOC1C(C(C)(C)C)=CC(=O)N1C
InChIInChI=1S/C10H17NO2/c1-10(2,3)7-6-8(12)11(4)9(7)13-5/h6,9H,1-5H3
InChIKeyWIPLYOWWDPBXNU-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one (CID 146290013) is 3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one is COC1C(C(C)(C)C)=CC(=O)N1C.
What is the InChIKey of 3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is WIPLYOWWDPBXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)7-6-8(12)11(4)9(7)13-5/h6,9H,1-5H3.
What are the key properties of 3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one?
3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 146290013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).