(5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one

C8H13NO2 — CID 14443712

IUPAC(5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1C(=O)CC[C@H]1CO
InChIInChI=1S/C8H13NO2/c1-2-5-9-7(6-10)3-4-8(9)11/h2,7,10H,1,3-6H2/t7-/m0/s1
InChIKeyCXRWNZYTQYJDCL-ZETCQYMHSA-N
MW155.20 g/mol
LogP0.16
Rot. Bonds3

About (5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one

(5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one (PubChem CID 14443712) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one
PubChem CID14443712
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1C(=O)CC[C@H]1CO
InChIInChI=1S/C8H13NO2/c1-2-5-9-7(6-10)3-4-8(9)11/h2,7,10H,1,3-6H2/t7-/m0/s1
InChIKeyCXRWNZYTQYJDCL-ZETCQYMHSA-N
XLogP0.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.16
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-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one (CID 14443712) is (5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one is C=CCN1C(=O)CC[C@H]1CO.
What is the InChIKey of (5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is CXRWNZYTQYJDCL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-5-9-7(6-10)3-4-8(9)11/h2,7,10H,1,3-6H2/t7-/m0/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one?
(5S)-5-(hydroxymethyl)-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.16, 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-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 14443712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).