(3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one

C7H9NO2 — CID 15046660

IUPAC(3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one
SMILESC#CCN1CC[C@H](O)C1=O
InChIInChI=1S/C7H9NO2/c1-2-4-8-5-3-6(9)7(8)10/h1,6,9H,3-5H2/t6-/m0/s1
InChIKeySZHOQHWMVDFSGL-LURJTMIESA-N
MW139.15 g/mol
LogP-0.79
Rot. Bonds1

About (3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one

(3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one (PubChem CID 15046660) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one
PubChem CID15046660
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one
SMILESC#CCN1CC[C@H](O)C1=O
InChIInChI=1S/C7H9NO2/c1-2-4-8-5-3-6(9)7(8)10/h1,6,9H,3-5H2/t6-/m0/s1
InChIKeySZHOQHWMVDFSGL-LURJTMIESA-N
XLogP-0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-1-methylpyrrolidin-2-one
CID 10313118
(S)-3-hydroxy-1-[4-(1-pyrrolidinyl)-2-butynyl]-2-pyrrolidinone
CID 15046675
(R)-3-Hydroxy-1-[4-(1-pyrrolidinyl)-2-butynyl]-2-pyrrolidinone
CID 15046676
1-Ethyl-3-hydroxypyrrolidine-2,5-dione
CID 289368
(3R)-3-hydroxy-1-methyl-pyrrolidin-2-one
CID 69033113
4-Hydroxy-1-methylpyrrolidin-2-one
CID 17811779
1-Ethyl-3-hydroxypyrrolidin-2-one
CID 22726194
(4S)-4-hydroxy-1-methylpyrrolidin-2-one
CID 57237418
(4R)-4-hydroxy-1-methylpyrrolidin-2-one
CID 58967513
(S)-3-hydroxy-1-(2,2,2-trifluoroethyl)-2-pyrrolidinone
CID 100665335
1-Cyclopropyl-3-hydroxypyrrolidin-2-one
CID 117014160
Dihydroxy pyrrolidone
CID 129676221

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one (CID 15046660) is (3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one is C#CCN1CC[C@H](O)C1=O.
What is the InChIKey of (3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one?
The InChIKey is SZHOQHWMVDFSGL-LURJTMIESA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-4-8-5-3-6(9)7(8)10/h1,6,9H,3-5H2/t6-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one?
(3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one has a molecular weight of 139.15 g/mol, XLogP of -0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-prop-2-ynylpyrrolidin-2-one is sourced from PubChem (CID 15046660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).