(3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C20H27NO2 — CID 4713555

IUPAC(3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C12CCC(C)(C(O)C1)C2(C)C
InChIInChI=1S/C20H27NO2/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/h5-8,13,16,22H,9-12H2,1-4H3
InChIKeyRFIDJGNTQDNOGZ-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.54
Rot. Bonds1

About (3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 4713555) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID4713555
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C12CCC(C)(C(O)C1)C2(C)C
InChIInChI=1S/C20H27NO2/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/h5-8,13,16,22H,9-12H2,1-4H3
InChIKeyRFIDJGNTQDNOGZ-UHFFFAOYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63132696
4,7,7-trimethyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
CID 2898180
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile
CID 60677912
[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971730
(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 115293542
(1-amino-3-methylcyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 64549601
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 83080337
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 42587064
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]methanone
CID 108981201

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 4713555) is (3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)C12CCC(C)(C(O)C1)C2(C)C.
What is the InChIKey of (3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is RFIDJGNTQDNOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/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/h5-8,13,16,22H,9-12H2,1-4H3.
What are the key properties of (3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 313.44 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 4713555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).