1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one

C9H15NO2 — CID 118454170

IUPAC1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one
SMILESCC1C(=O)N(C2CC2)CC1CO
InChIInChI=1S/C9H15NO2/c1-6-7(5-11)4-10(9(6)12)8-2-3-8/h6-8,11H,2-5H2,1H3
InChIKeyQJZRXBKVKMXYMF-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.24
Rot. Bonds2

About 1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one

1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one (PubChem CID 118454170) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one
PubChem CID118454170
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one
SMILESCC1C(=O)N(C2CC2)CC1CO
InChIInChI=1S/C9H15NO2/c1-6-7(5-11)4-10(9(6)12)8-2-3-8/h6-8,11H,2-5H2,1H3
InChIKeyQJZRXBKVKMXYMF-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one (CID 118454170) is 1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one is CC1C(=O)N(C2CC2)CC1CO.
What is the InChIKey of 1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one?
The InChIKey is QJZRXBKVKMXYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-7(5-11)4-10(9(6)12)8-2-3-8/h6-8,11H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one?
1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(hydroxymethyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 118454170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).