[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone

C16H19NO — CID 124554087

IUPAC[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1[C@@H]2CCCC[C@@H]12)N1CCc2ccccc21
InChIInChI=1S/C16H19NO/c18-16(15-12-6-2-3-7-13(12)15)17-10-9-11-5-1-4-8-14(11)17/h1,4-5,8,12-13,15H,2-3,6-7,9-10H2/t12-,13-/m1/s1
InChIKeyHAMKOZVQONOKLK-CHWSQXEVSA-N
MW241.33 g/mol
LogP3.01
Rot. Bonds1

About [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone

[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 124554087) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID124554087
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1[C@@H]2CCCC[C@@H]12)N1CCc2ccccc21
InChIInChI=1S/C16H19NO/c18-16(15-12-6-2-3-7-13(12)15)17-10-9-11-5-1-4-8-14(11)17/h1,4-5,8,12-13,15H,2-3,6-7,9-10H2/t12-,13-/m1/s1
InChIKeyHAMKOZVQONOKLK-CHWSQXEVSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

(1R,2S,4S,5R,6S,7S)-7-(2,3-dihydroindole-1-carbonyl)tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 98189242
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
CID 102944186
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119673091
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
2,3-dihydroindol-1-yl-(3-methylpiperidin-2-yl)methanone
CID 62340975
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
2-(2,3-dihydroindole-1-carbonyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 51166570
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone (CID 124554087) is [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone is O=C(C1[C@@H]2CCCC[C@@H]12)N1CCc2ccccc21.
What is the InChIKey of [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is HAMKOZVQONOKLK-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H19NO/c18-16(15-12-6-2-3-7-13(12)15)17-10-9-11-5-1-4-8-14(11)17/h1,4-5,8,12-13,15H,2-3,6-7,9-10H2/t12-,13-/m1/s1.
What are the key properties of [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone?
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 241.33 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 124554087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).