2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol

C13H25NO — CID 62609039

IUPAC2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol
SMILESCC1CCN(CC2CCCCCC2O)C1
InChIInChI=1S/C13H25NO/c1-11-7-8-14(9-11)10-12-5-3-2-4-6-13(12)15/h11-13,15H,2-10H2,1H3
InChIKeySCCSHNKZOAQBAA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.27
Rot. Bonds2

About 2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol

2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol (PubChem CID 62609039) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol
PubChem CID62609039
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol
SMILESCC1CCN(CC2CCCCCC2O)C1
InChIInChI=1S/C13H25NO/c1-11-7-8-14(9-11)10-12-5-3-2-4-6-13(12)15/h11-13,15H,2-10H2,1H3
InChIKeySCCSHNKZOAQBAA-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol (CID 62609039) is 2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol is CC1CCN(CC2CCCCCC2O)C1.
What is the InChIKey of 2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol?
The InChIKey is SCCSHNKZOAQBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-7-8-14(9-11)10-12-5-3-2-4-6-13(12)15/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol?
2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 62609039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).