(4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one

C6H11NO3 — CID 55299892

IUPAC(4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one
SMILESO=C1C[C@H]([C@H](O)CO)CN1
InChIInChI=1S/C6H11NO3/c8-3-5(9)4-1-6(10)7-2-4/h4-5,8-9H,1-3H2,(H,7,10)/t4-,5+/m0/s1
InChIKeyHBRVWGVRKZJQGF-CRCLSJGQSA-N
MW145.16 g/mol
LogP-1.52
Rot. Bonds2

About (4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one

(4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one (PubChem CID 55299892) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one
PubChem CID55299892
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one
SMILESO=C1C[C@H]([C@H](O)CO)CN1
InChIInChI=1S/C6H11NO3/c8-3-5(9)4-1-6(10)7-2-4/h4-5,8-9H,1-3H2,(H,7,10)/t4-,5+/m0/s1
InChIKeyHBRVWGVRKZJQGF-CRCLSJGQSA-N
XLogP-1.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 146161426
4-propan-2-ylpyrrolidin-2-one
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(4S)-4-[(1R)-1,2-dihydroxyethyl]oxolan-2-one
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[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride
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4-[2-(3-azido-2,4,6-trifluorophenyl)-1-hydroxyethyl]pyrrolidin-2-one
CID 90845548
(4S)-4-(2-fluoroethyl)pyrrolidin-2-one
CID 175917688
4-(1-phenylpropyl)pyrrolidin-2-one
CID 122156868
(4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one
CID 124705684
4-hydroxypyrrolidin-2-one;propane
CID 169229949
(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
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(4S,5R)-4,5-dihydroxypiperidin-2-one
CID 57413174

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one (CID 55299892) is (4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one is O=C1C[C@H]([C@H](O)CO)CN1.
What is the InChIKey of (4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one?
The InChIKey is HBRVWGVRKZJQGF-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11NO3/c8-3-5(9)4-1-6(10)7-2-4/h4-5,8-9H,1-3H2,(H,7,10)/t4-,5+/m0/s1.
What are the key properties of (4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one?
(4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one has a molecular weight of 145.16 g/mol, XLogP of -1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 55299892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).