(5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one

C9H15NO2 — CID 14443718

IUPAC(5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CN1C(=O)CC[C@H]1CO
InChIInChI=1S/C9H15NO2/c1-7(2)5-10-8(6-11)3-4-9(10)12/h8,11H,1,3-6H2,2H3/t8-/m0/s1
InChIKeyUVYVTICSUXMQLK-QMMMGPOBSA-N
MW169.22 g/mol
LogP0.55
Rot. Bonds3

About (5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one

(5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one (PubChem CID 14443718) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
PubChem CID14443718
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CN1C(=O)CC[C@H]1CO
InChIInChI=1S/C9H15NO2/c1-7(2)5-10-8(6-11)3-4-9(10)12/h8,11H,1,3-6H2,2H3/t8-/m0/s1
InChIKeyUVYVTICSUXMQLK-QMMMGPOBSA-N
XLogP0.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one (CID 14443718) is (5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one is C=C(C)CN1C(=O)CC[C@H]1CO.
What is the InChIKey of (5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The InChIKey is UVYVTICSUXMQLK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(2)5-10-8(6-11)3-4-9(10)12/h8,11H,1,3-6H2,2H3/t8-/m0/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
(5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 14443718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).