6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one

C21H30FNO2 — CID 170603599

IUPAC6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one
SMILESCCC(=O)N1CC(C)(C)C2=C1C=C(CC1CCC(F)CC1)C(=O)C2C
InChIInChI=1S/C21H30FNO2/c1-5-18(24)23-12-21(3,4)19-13(2)20(25)15(11-17(19)23)10-14-6-8-16(22)9-7-14/h11,13-14,16H,5-10,12H2,1-4H3
InChIKeyOVCUKRNDPZGOCW-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.58
Rot. Bonds3

About 6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one

6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one (PubChem CID 170603599) has the molecular formula C21H30FNO2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one.

Molecular Properties

Compound Name6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one
PubChem CID170603599
Molecular FormulaC21H30FNO2
Molecular Weight347.47 g/mol
Exact Mass347.23
IUPAC Name6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one
SMILESCCC(=O)N1CC(C)(C)C2=C1C=C(CC1CCC(F)CC1)C(=O)C2C
InChIInChI=1S/C21H30FNO2/c1-5-18(24)23-12-21(3,4)19-13(2)20(25)15(11-17(19)23)10-14-6-8-16(22)9-7-14/h11,13-14,16H,5-10,12H2,1-4H3
InChIKeyOVCUKRNDPZGOCW-UHFFFAOYSA-N
XLogP4.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4,7,7-trimethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione
CID 822396
7-(Difluoromethyl)-3-methyl-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione
CID 149823114
3-Methyl-1-[(4-oxocyclohexyl)methyl]-7-(2,2,2-trifluoroethyl)-3,7-dihydroindole-2,6-dione
CID 152432474
6-[(4-Fluorocyclohexyl)methyl]-3,3-dimethyl-1-propanoyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one
CID 170603103
3-[(4-fluorocyclohexyl)methyl]-7,7-dimethyl-5-propanoyl-5,6-dihydro-1H-cyclopenta[b]pyridin-2-one
CID 170603264
6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one
CID 170603490
1,3,4a,5-tetramethyl-5,7-dihydro-4H-benzo[f]indole-2,6-dione
CID 17783380
(4aR,5R)-1,3,4a,5-tetramethyl-5,7-dihydro-4H-benzo[f]indole-2,6-dione
CID 69694070
3-Methyl-7-(2-methylpropyl)-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione
CID 151012692
3,7-Dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione
CID 151102377
3,7-Dimethyl-1-[(4-oxocyclohexyl)methyl]-3,7-dihydroindole-2,6-dione
CID 152060545
3-Methyl-1-[(4-oxocyclohexyl)methyl]-7-propan-2-yl-3,7-dihydroindole-2,6-dione
CID 152360114

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one?
The IUPAC name of 6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one (CID 170603599) is 6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one.
What is the SMILES notation for 6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one?
The canonical SMILES for 6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one is CCC(=O)N1CC(C)(C)C2=C1C=C(CC1CCC(F)CC1)C(=O)C2C.
What is the InChIKey of 6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one?
The InChIKey is OVCUKRNDPZGOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO2/c1-5-18(24)23-12-21(3,4)19-13(2)20(25)15(11-17(19)23)10-14-6-8-16(22)9-7-14/h11,13-14,16H,5-10,12H2,1-4H3.
What are the key properties of 6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one?
6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one has a molecular weight of 347.47 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one is sourced from PubChem (CID 170603599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).