[(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol

C8H14N2O — CID 58863426

IUPAC[(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol
SMILES[C-]#[N+]CCN1CCC[C@@H]1CO
InChIInChI=1S/C8H14N2O/c1-9-4-6-10-5-2-3-8(10)7-11/h8,11H,2-7H2/t8-/m1/s1
InChIKeyJFJAQBKELKIOGJ-MRVPVSSYSA-N
MW154.21 g/mol
LogP0.36
Rot. Bonds3

About [(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol

[(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol (PubChem CID 58863426) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is [(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol
PubChem CID58863426
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name[(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol
SMILES[C-]#[N+]CCN1CCC[C@@H]1CO
InChIInChI=1S/C8H14N2O/c1-9-4-6-10-5-2-3-8(10)7-11/h8,11H,2-7H2/t8-/m1/s1
InChIKeyJFJAQBKELKIOGJ-MRVPVSSYSA-N
XLogP0.36
TPSA27.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol (CID 58863426) is [(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol is [C-]#[N+]CCN1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol?
The InChIKey is JFJAQBKELKIOGJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-9-4-6-10-5-2-3-8(10)7-11/h8,11H,2-7H2/t8-/m1/s1.
What are the key properties of [(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol?
[(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol has a molecular weight of 154.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-isocyanoethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 58863426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).