4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide

C13H20N2O2 — CID 102497513

IUPAC4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide
SMILESCCC1=C2CCN(C(=O)N(C)C)C2CCC1=O
InChIInChI=1S/C13H20N2O2/c1-4-9-10-7-8-15(13(17)14(2)3)11(10)5-6-12(9)16/h11H,4-8H2,1-3H3
InChIKeyDVGVCVPMFCTNEQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.81
Rot. Bonds1

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

4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide (PubChem CID 102497513) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide
PubChem CID102497513
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide
SMILESCCC1=C2CCN(C(=O)N(C)C)C2CCC1=O
InChIInChI=1S/C13H20N2O2/c1-4-9-10-7-8-15(13(17)14(2)3)11(10)5-6-12(9)16/h11H,4-8H2,1-3H3
InChIKeyDVGVCVPMFCTNEQ-UHFFFAOYSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
The IUPAC name of 4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide (CID 102497513) is 4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide.
What is the SMILES notation for 4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
The canonical SMILES for 4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide is CCC1=C2CCN(C(=O)N(C)C)C2CCC1=O.
What is the InChIKey of 4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
The InChIKey is DVGVCVPMFCTNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-9-10-7-8-15(13(17)14(2)3)11(10)5-6-12(9)16/h11H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide?
4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dimethyl-5-oxo-3,6,7,7a-tetrahydro-2H-indole-1-carboxamide is sourced from PubChem (CID 102497513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).