1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide

C15H19NO — CID 166667128

IUPAC1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide
SMILESCC1Cc2cc3c(cc2C1(C)C(N)=O)CCC3
InChIInChI=1S/C15H19NO/c1-9-6-12-7-10-4-3-5-11(10)8-13(12)15(9,2)14(16)17/h7-9H,3-6H2,1-2H3,(H2,16,17)
InChIKeyATBFIQJMAJFWIJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.11
Rot. Bonds1

About 1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide

1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide (PubChem CID 166667128) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide
PubChem CID166667128
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide
SMILESCC1Cc2cc3c(cc2C1(C)C(N)=O)CCC3
InChIInChI=1S/C15H19NO/c1-9-6-12-7-10-4-3-5-11(10)8-13(12)15(9,2)14(16)17/h7-9H,3-6H2,1-2H3,(H2,16,17)
InChIKeyATBFIQJMAJFWIJ-UHFFFAOYSA-N
XLogP2.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide?
The IUPAC name of 1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide (CID 166667128) is 1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide.
What is the SMILES notation for 1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide?
The canonical SMILES for 1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide is CC1Cc2cc3c(cc2C1(C)C(N)=O)CCC3.
What is the InChIKey of 1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide?
The InChIKey is ATBFIQJMAJFWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-9-6-12-7-10-4-3-5-11(10)8-13(12)15(9,2)14(16)17/h7-9H,3-6H2,1-2H3,(H2,16,17).
What are the key properties of 1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide?
1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,5,6,7-tetrahydro-2H-s-indacene-1-carboxamide is sourced from PubChem (CID 166667128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).