(1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide

C13H21NO — CID 6939296

IUPAC(1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide
SMILESCNC(=O)C12CCC3C[C@H](C[C@H](C3)C1)C2
InChIInChI=1S/C13H21NO/c1-14-12(15)13-3-2-9-4-10(7-13)6-11(5-9)8-13/h9-11H,2-8H2,1H3,(H,14,15)/t9?,10-,11+,13?
InChIKeyZTXZYLSLWKJSFU-VOZVASTJSA-N
MW207.32 g/mol
LogP2.34
Rot. Bonds1

About (1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide

(1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide (PubChem CID 6939296) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide.

Molecular Properties

Compound Name(1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide
PubChem CID6939296
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide
SMILESCNC(=O)C12CCC3C[C@H](C[C@H](C3)C1)C2
InChIInChI=1S/C13H21NO/c1-14-12(15)13-3-2-9-4-10(7-13)6-11(5-9)8-13/h9-11H,2-8H2,1H3,(H,14,15)/t9?,10-,11+,13?
InChIKeyZTXZYLSLWKJSFU-VOZVASTJSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide?
The IUPAC name of (1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide (CID 6939296) is (1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide.
What is the SMILES notation for (1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide?
The canonical SMILES for (1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide is CNC(=O)C12CCC3C[C@H](C[C@H](C3)C1)C2.
What is the InChIKey of (1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide?
The InChIKey is ZTXZYLSLWKJSFU-VOZVASTJSA-N. The full InChI is InChI=1S/C13H21NO/c1-14-12(15)13-3-2-9-4-10(7-13)6-11(5-9)8-13/h9-11H,2-8H2,1H3,(H,14,15)/t9?,10-,11+,13?.
What are the key properties of (1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide?
(1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide has a molecular weight of 207.32 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide is sourced from PubChem (CID 6939296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).