(5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one

C10H17NO2 — CID 10797544

IUPAC(5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCN1C(=O)CC[C@H]1CO
InChIInChI=1S/C10H17NO2/c1-2-3-4-7-11-9(8-12)5-6-10(11)13/h2,9,12H,1,3-8H2/t9-/m0/s1
InChIKeyQATVSBGSMSVJSG-VIFPVBQESA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds5

About (5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one

(5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one (PubChem CID 10797544) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one
PubChem CID10797544
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCN1C(=O)CC[C@H]1CO
InChIInChI=1S/C10H17NO2/c1-2-3-4-7-11-9(8-12)5-6-10(11)13/h2,9,12H,1,3-8H2/t9-/m0/s1
InChIKeyQATVSBGSMSVJSG-VIFPVBQESA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one (CID 10797544) is (5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one is C=CCCCN1C(=O)CC[C@H]1CO.
What is the InChIKey of (5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one?
The InChIKey is QATVSBGSMSVJSG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-4-7-11-9(8-12)5-6-10(11)13/h2,9,12H,1,3-8H2/t9-/m0/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one?
(5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)-1-pent-4-enylpyrrolidin-2-one is sourced from PubChem (CID 10797544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).