4-methoxy-1-propan-2-yl-2H-pyrrol-5-one

C8H13NO2 — CID 66789780

IUPAC4-methoxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCOC1=CCN(C(C)C)C1=O
InChIInChI=1S/C8H13NO2/c1-6(2)9-5-4-7(11-3)8(9)10/h4,6H,5H2,1-3H3
InChIKeyCYAYGQOBONIQNJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds2

About 4-methoxy-1-propan-2-yl-2H-pyrrol-5-one

4-methoxy-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 66789780) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-methoxy-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-methoxy-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID66789780
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-methoxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCOC1=CCN(C(C)C)C1=O
InChIInChI=1S/C8H13NO2/c1-6(2)9-5-4-7(11-3)8(9)10/h4,6H,5H2,1-3H3
InChIKeyCYAYGQOBONIQNJ-UHFFFAOYSA-N
XLogP0.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44718963
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1-Ethyl-3-(1-ethyl-2,5-dioxopyrrol-3-yl)oxypyrrole-2,5-dione
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3-Methoxy-1-propan-2-ylpyridin-2-one
CID 57640420
4-Methoxy-1-isopropyl-1,5-dihydropyrrol-2-one
CID 58336886
1-Cyclopropyl-4-methoxy-1,5-dihydropyrrol-2-one
CID 67487108
4-Methoxy-1-propyl-1,5-dihydropyrrol-2-one
CID 69242142
(2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one
CID 89194290
3-Ethoxy-1-methylpyrrole-2,5-dione
CID 89363620
4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
CID 141064944
ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one
CID 143617264

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 4-methoxy-1-propan-2-yl-2H-pyrrol-5-one (CID 66789780) is 4-methoxy-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-methoxy-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-methoxy-1-propan-2-yl-2H-pyrrol-5-one is COC1=CCN(C(C)C)C1=O.
What is the InChIKey of 4-methoxy-1-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is CYAYGQOBONIQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)9-5-4-7(11-3)8(9)10/h4,6H,5H2,1-3H3.
What are the key properties of 4-methoxy-1-propan-2-yl-2H-pyrrol-5-one?
4-methoxy-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 66789780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).