2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone

C19H23NO — CID 2950902

IUPAC2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone
SMILESC=C1C2(C(=O)N3CCc4ccccc43)CCC(C2)C1(C)C
InChIInChI=1S/C19H23NO/c1-13-18(2,3)15-8-10-19(13,12-15)17(21)20-11-9-14-6-4-5-7-16(14)20/h4-7,15H,1,8-12H2,2-3H3
InChIKeyQTGMJZNXKBXVIY-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.96
Rot. Bonds1

About 2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone

2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone (PubChem CID 2950902) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone
PubChem CID2950902
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone
SMILESC=C1C2(C(=O)N3CCc4ccccc43)CCC(C2)C1(C)C
InChIInChI=1S/C19H23NO/c1-13-18(2,3)15-8-10-19(13,12-15)17(21)20-11-9-14-6-4-5-7-16(14)20/h4-7,15H,1,8-12H2,2-3H3
InChIKeyQTGMJZNXKBXVIY-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198266
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 18834249
cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate
CID 6927392
(1R,4R)-4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 6543989
4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2946417
(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 113280547
[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2,3-dihydroindol-1-yl)methanone
CID 113198897
2,3-dihydroindol-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 119673107
ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108978650
bromo 2,3-dihydroindole-1-carboxylate
CID 140683815
N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 4305804

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone (CID 2950902) is 2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone is C=C1C2(C(=O)N3CCc4ccccc43)CCC(C2)C1(C)C.
What is the InChIKey of 2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone?
The InChIKey is QTGMJZNXKBXVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-18(2,3)15-8-10-19(13,12-15)17(21)20-11-9-14-6-4-5-7-16(14)20/h4-7,15H,1,8-12H2,2-3H3.
What are the key properties of 2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone?
2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone has a molecular weight of 281.40 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone is sourced from PubChem (CID 2950902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).