[(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol

C8H13NO — CID 130687644

IUPAC[(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol
SMILESC#CCN1CC[C@@H](CO)C1
InChIInChI=1S/C8H13NO/c1-2-4-9-5-3-8(6-9)7-10/h1,8,10H,3-7H2/t8-/m1/s1
InChIKeyDJOALSXAEVARSW-MRVPVSSYSA-N
MW139.20 g/mol
LogP-0.07
Rot. Bonds2

About [(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol

[(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol (PubChem CID 130687644) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is [(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol
PubChem CID130687644
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name[(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol
SMILESC#CCN1CC[C@@H](CO)C1
InChIInChI=1S/C8H13NO/c1-2-4-9-5-3-8(6-9)7-10/h1,8,10H,3-7H2/t8-/m1/s1
InChIKeyDJOALSXAEVARSW-MRVPVSSYSA-N
XLogP-0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-1-prop-2-ynylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol (CID 130687644) is [(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol is C#CCN1CC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol?
The InChIKey is DJOALSXAEVARSW-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-4-9-5-3-8(6-9)7-10/h1,8,10H,3-7H2/t8-/m1/s1.
What are the key properties of [(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol?
[(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol has a molecular weight of 139.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-prop-2-ynylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 130687644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).