2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one

C10H17NO2 — CID 25246653

IUPAC2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(C)=C(C)C1OC
InChIInChI=1S/C10H17NO2/c1-5-6-11-9(12)7(2)8(3)10(11)13-4/h10H,5-6H2,1-4H3
InChIKeyCPRBRLYKPTVFDM-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds3

About 2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one

2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one (PubChem CID 25246653) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
PubChem CID25246653
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(C)=C(C)C1OC
InChIInChI=1S/C10H17NO2/c1-5-6-11-9(12)7(2)8(3)10(11)13-4/h10H,5-6H2,1-4H3
InChIKeyCPRBRLYKPTVFDM-UHFFFAOYSA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one?
The IUPAC name of 2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one (CID 25246653) is 2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one?
The canonical SMILES for 2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one is CCCN1C(=O)C(C)=C(C)C1OC.
What is the InChIKey of 2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one?
The InChIKey is CPRBRLYKPTVFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-6-11-9(12)7(2)8(3)10(11)13-4/h10H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one?
2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 25246653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).