cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol

C11H21NO — CID 59004689

IUPACcis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol
SMILESC[C@@H]1CCN([C@@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C11H21NO/c1-9-6-7-12(8-9)10-4-2-3-5-11(10)13/h9-11,13H,2-8H2,1H3/t9-,10-,11+/m1/s1
InChIKeySVPJUUNIKODXGX-MXWKQRLJSA-N
MW183.29 g/mol
LogP1.63
Rot. Bonds1

About cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol

cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol (PubChem CID 59004689) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol
PubChem CID59004689
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Namecis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol
SMILESC[C@@H]1CCN([C@@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C11H21NO/c1-9-6-7-12(8-9)10-4-2-3-5-11(10)13/h9-11,13H,2-8H2,1H3/t9-,10-,11+/m1/s1
InChIKeySVPJUUNIKODXGX-MXWKQRLJSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol (CID 59004689) is cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol is C[C@@H]1CCN([C@@H]2CCCC[C@@H]2O)C1.
What is the InChIKey of cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol?
The InChIKey is SVPJUUNIKODXGX-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-6-7-12(8-9)10-4-2-3-5-11(10)13/h9-11,13H,2-8H2,1H3/t9-,10-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol?
cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 59004689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).