(3R)-3-ethynylpyrrolidin-2-one

C6H7NO — CID 150282029

IUPAC(3R)-3-ethynylpyrrolidin-2-one
SMILESC#C[C@H]1CCNC1=O
InChIInChI=1S/C6H7NO/c1-2-5-3-4-7-6(5)8/h1,5H,3-4H2,(H,7,8)/t5-/m0/s1
InChIKeyGFUGBZUTTWNXRN-YFKPBYRVSA-N
MW109.13 g/mol
LogP-0.24
Rot. Bonds

About (3R)-3-ethynylpyrrolidin-2-one

(3R)-3-ethynylpyrrolidin-2-one (PubChem CID 150282029) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is (3R)-3-ethynylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-ethynylpyrrolidin-2-one
PubChem CID150282029
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name(3R)-3-ethynylpyrrolidin-2-one
SMILESC#C[C@H]1CCNC1=O
InChIInChI=1S/C6H7NO/c1-2-5-3-4-7-6(5)8/h1,5H,3-4H2,(H,7,8)/t5-/m0/s1
InChIKeyGFUGBZUTTWNXRN-YFKPBYRVSA-N
XLogP-0.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethynylpyrrolidin-2-one?
The IUPAC name of (3R)-3-ethynylpyrrolidin-2-one (CID 150282029) is (3R)-3-ethynylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-ethynylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-ethynylpyrrolidin-2-one is C#C[C@H]1CCNC1=O.
What is the InChIKey of (3R)-3-ethynylpyrrolidin-2-one?
The InChIKey is GFUGBZUTTWNXRN-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-5-3-4-7-6(5)8/h1,5H,3-4H2,(H,7,8)/t5-/m0/s1.
What are the key properties of (3R)-3-ethynylpyrrolidin-2-one?
(3R)-3-ethynylpyrrolidin-2-one has a molecular weight of 109.13 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethynylpyrrolidin-2-one is sourced from PubChem (CID 150282029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).