N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C11H20N2O — CID 24697871

IUPACN,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCN(C)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C11H20N2O/c1-13(2)11(14)10-7-8-5-3-4-6-9(8)12-10/h8-10,12H,3-7H2,1-2H3
InChIKeyODHGXEFNHOQANE-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds1

About N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 24697871) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID24697871
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCN(C)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C11H20N2O/c1-13(2)11(14)10-7-8-5-3-4-6-9(8)12-10/h8-10,12H,3-7H2,1-2H3
InChIKeyODHGXEFNHOQANE-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 24697871) is N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CN(C)C(=O)C1CC2CCCCC2N1.
What is the InChIKey of N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is ODHGXEFNHOQANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-13(2)11(14)10-7-8-5-3-4-6-9(8)12-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 24697871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).