4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one

C9H17NO2 — CID 76687173

IUPAC4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one
SMILESCOC(C(C)C)C1CNC(=O)C1
InChIInChI=1S/C9H17NO2/c1-6(2)9(12-3)7-4-8(11)10-5-7/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyVZCBNGXIDOFPJW-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.79
Rot. Bonds3

About 4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one

4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one (PubChem CID 76687173) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one
PubChem CID76687173
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one
SMILESCOC(C(C)C)C1CNC(=O)C1
InChIInChI=1S/C9H17NO2/c1-6(2)9(12-3)7-4-8(11)10-5-7/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyVZCBNGXIDOFPJW-UHFFFAOYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one (CID 76687173) is 4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one is COC(C(C)C)C1CNC(=O)C1.
What is the InChIKey of 4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one?
The InChIKey is VZCBNGXIDOFPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)9(12-3)7-4-8(11)10-5-7/h6-7,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one?
4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxy-2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 76687173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).