(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol

C6H14NOP — CID 59544008

IUPAC(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol
SMILESC[C@H](O)[C@H]1CCN(P)C1
InChIInChI=1S/C6H14NOP/c1-5(8)6-2-3-7(9)4-6/h5-6,8H,2-4,9H2,1H3/t5-,6-/m0/s1
InChIKeyBLWAKQZSLVNXHG-WDSKDSINSA-N
MW147.16 g/mol
LogP0.48
Rot. Bonds1

About (1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol

(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol (PubChem CID 59544008) has the molecular formula C6H14NOP and a molecular weight of 147.16 g/mol. Its IUPAC name is (1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol
PubChem CID59544008
Molecular FormulaC6H14NOP
Molecular Weight147.16 g/mol
Exact Mass147.08
IUPAC Name(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol
SMILESC[C@H](O)[C@H]1CCN(P)C1
InChIInChI=1S/C6H14NOP/c1-5(8)6-2-3-7(9)4-6/h5-6,8H,2-4,9H2,1H3/t5-,6-/m0/s1
InChIKeyBLWAKQZSLVNXHG-WDSKDSINSA-N
XLogP0.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol?
The IUPAC name of (1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol (CID 59544008) is (1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol?
The canonical SMILES for (1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol is C[C@H](O)[C@H]1CCN(P)C1.
What is the InChIKey of (1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol?
The InChIKey is BLWAKQZSLVNXHG-WDSKDSINSA-N. The full InChI is InChI=1S/C6H14NOP/c1-5(8)6-2-3-7(9)4-6/h5-6,8H,2-4,9H2,1H3/t5-,6-/m0/s1.
What are the key properties of (1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol?
(1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol has a molecular weight of 147.16 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3S)-1-phosphanylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 59544008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).