1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one

C20H25NO2 — CID 2898262

IUPAC1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1Cc2ccccc2N1C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C20H25NO2/c1-13-11-14-7-5-6-8-15(14)21(13)17(23)20-10-9-19(4,16(22)12-20)18(20,2)3/h5-8,13H,9-12H2,1-4H3
InChIKeyUCCZEJKEPKONPP-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.75
Rot. Bonds1

About 1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one

1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 2898262) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one
PubChem CID2898262
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCC1Cc2ccccc2N1C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C20H25NO2/c1-13-11-14-7-5-6-8-15(14)21(13)17(23)20-10-9-19(4,16(22)12-20)18(20,2)3/h5-8,13H,9-12H2,1-4H3
InChIKeyUCCZEJKEPKONPP-UHFFFAOYSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one (CID 2898262) is 1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one is CC1Cc2ccccc2N1C(=O)C12CCC(C)(C(=O)C1)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is UCCZEJKEPKONPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13-11-14-7-5-6-8-15(14)21(13)17(23)20-10-9-19(4,16(22)12-20)18(20,2)3/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 311.43 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 2898262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).