3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol

C8H17NO — CID 10820648

IUPAC3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol
SMILESC[C@@H]1CC[C@H](CCCO)N1
InChIInChI=1S/C8H17NO/c1-7-4-5-8(9-7)3-2-6-10/h7-10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyVTKHFLBSEKCFFK-SFYZADRCSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds3

About 3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol

3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol (PubChem CID 10820648) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol
PubChem CID10820648
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol
SMILESC[C@@H]1CC[C@H](CCCO)N1
InChIInChI=1S/C8H17NO/c1-7-4-5-8(9-7)3-2-6-10/h7-10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyVTKHFLBSEKCFFK-SFYZADRCSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol (CID 10820648) is 3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol is C[C@@H]1CC[C@H](CCCO)N1.
What is the InChIKey of 3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is VTKHFLBSEKCFFK-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-4-5-8(9-7)3-2-6-10/h7-10H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of 3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol?
3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5R)-5-methylpyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 10820648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).