2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol

C8H17NO — CID 59130910

IUPAC2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol
SMILES[CH2-][NH+]1CCC[C@@H]1C(C)(C)O
InChIInChI=1S/C8H17NO/c1-8(2,10)7-5-4-6-9(7)3/h7,9-10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyXUYFTAQLEBJBKQ-SSDOTTSWSA-N
MW143.23 g/mol
LogP-0.40
Rot. Bonds1

About 2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol

2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol (PubChem CID 59130910) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol
PubChem CID59130910
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol
SMILES[CH2-][NH+]1CCC[C@@H]1C(C)(C)O
InChIInChI=1S/C8H17NO/c1-8(2,10)7-5-4-6-9(7)3/h7,9-10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyXUYFTAQLEBJBKQ-SSDOTTSWSA-N
XLogP-0.40
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 12732176
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CID 21127410
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CID 66970742
CID 66970742
CID 167724587
CID 167724587
CID 167738719
CID 167738719
CID 10012022
CID 10012022
CID 10351807
CID 10351807
CID 11147720
CID 11147720
CID 12732179
CID 12732179
CID 15758090
CID 15758090
CID 2733181
CID 2733181
CID 12732175
CID 12732175

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol (CID 59130910) is 2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol is [CH2-][NH+]1CCC[C@@H]1C(C)(C)O.
What is the InChIKey of 2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol?
The InChIKey is XUYFTAQLEBJBKQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,10)7-5-4-6-9(7)3/h7,9-10H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol?
2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol has a molecular weight of 143.23 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-methanidylpyrrolidin-1-ium-2-yl]propan-2-ol is sourced from PubChem (CID 59130910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).