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

C11H20N2O — CID 130581774

IUPACN,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxamide
SMILESCN(C)C(=O)C1CCC2CCNC2C1
InChIInChI=1S/C11H20N2O/c1-13(2)11(14)9-4-3-8-5-6-12-10(8)7-9/h8-10,12H,3-7H2,1-2H3
InChIKeyHBERSHHORZMKKC-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds1

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

N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxamide (PubChem CID 130581774) 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-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxamide
PubChem CID130581774
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-6-carboxamide
SMILESCN(C)C(=O)C1CCC2CCNC2C1
InChIInChI=1S/C11H20N2O/c1-13(2)11(14)9-4-3-8-5-6-12-10(8)7-9/h8-10,12H,3-7H2,1-2H3
InChIKeyHBERSHHORZMKKC-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
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-6-carboxamide?
The IUPAC name of N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxamide (CID 130581774) is N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxamide?
The canonical SMILES for N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxamide is CN(C)C(=O)C1CCC2CCNC2C1.
What is the InChIKey of N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxamide?
The InChIKey is HBERSHHORZMKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-13(2)11(14)9-4-3-8-5-6-12-10(8)7-9/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-6-carboxamide?
N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 0.85, 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-6-carboxamide is sourced from PubChem (CID 130581774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).