6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide

C11H16N2O — CID 57037124

IUPAC6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide
SMILESCC1(C)CCc2c(C(N)=O)c[nH]c2C1
InChIInChI=1S/C11H16N2O/c1-11(2)4-3-7-8(10(12)14)6-13-9(7)5-11/h6,13H,3-5H2,1-2H3,(H2,12,14)
InChIKeyGNSYMQUPVKVFCG-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.63
Rot. Bonds1

About 6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide

6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide (PubChem CID 57037124) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide
PubChem CID57037124
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide
SMILESCC1(C)CCc2c(C(N)=O)c[nH]c2C1
InChIInChI=1S/C11H16N2O/c1-11(2)4-3-7-8(10(12)14)6-13-9(7)5-11/h6,13H,3-5H2,1-2H3,(H2,12,14)
InChIKeyGNSYMQUPVKVFCG-UHFFFAOYSA-N
XLogP1.63
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide?
The IUPAC name of 6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide (CID 57037124) is 6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide.
What is the SMILES notation for 6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide?
The canonical SMILES for 6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide is CC1(C)CCc2c(C(N)=O)c[nH]c2C1.
What is the InChIKey of 6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide?
The InChIKey is GNSYMQUPVKVFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2)4-3-7-8(10(12)14)6-13-9(7)5-11/h6,13H,3-5H2,1-2H3,(H2,12,14).
What are the key properties of 6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide?
6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,4,5,7-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 57037124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).