1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol

C13H25NO — CID 117016811

IUPAC1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)C(O)CCN1C1CCCCCC1
InChIInChI=1S/C13H25NO/c1-13(2)12(15)9-10-14(13)11-7-5-3-4-6-8-11/h11-12,15H,3-10H2,1-2H3
InChIKeyXTVKOUVYQDPNES-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.55
Rot. Bonds1

About 1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol

1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol (PubChem CID 117016811) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol
PubChem CID117016811
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)C(O)CCN1C1CCCCCC1
InChIInChI=1S/C13H25NO/c1-13(2)12(15)9-10-14(13)11-7-5-3-4-6-8-11/h11-12,15H,3-10H2,1-2H3
InChIKeyXTVKOUVYQDPNES-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol (CID 117016811) is 1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol is CC1(C)C(O)CCN1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol?
The InChIKey is XTVKOUVYQDPNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2)12(15)9-10-14(13)11-7-5-3-4-6-8-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol?
1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 117016811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).