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

C10H17NO2 — CID 118454198

IUPAC3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(CO)C(CC2CC2)C1=O
InChIInChI=1S/C10H17NO2/c1-11-5-8(6-12)9(10(11)13)4-7-2-3-7/h7-9,12H,2-6H2,1H3
InChIKeyHIIPAAZHESTBKB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.48
Rot. Bonds3

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

3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one (PubChem CID 118454198) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one
PubChem CID118454198
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(CO)C(CC2CC2)C1=O
InChIInChI=1S/C10H17NO2/c1-11-5-8(6-12)9(10(11)13)4-7-2-3-7/h7-9,12H,2-6H2,1H3
InChIKeyHIIPAAZHESTBKB-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one (CID 118454198) is 3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one is CN1CC(CO)C(CC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The InChIKey is HIIPAAZHESTBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-5-8(6-12)9(10(11)13)4-7-2-3-7/h7-9,12H,2-6H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one?
3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 118454198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).