3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one

C19H23NO — CID 106986659

IUPAC3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1NC(=O)C2C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO/c1-11-3-2-4-15-16(18(21)20-17(11)15)19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14,16H,5-10H2,1H3,(H,20,21)
InChIKeyPMQUNHDGZXIEKR-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.25
Rot. Bonds1

About 3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one

3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one (PubChem CID 106986659) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one
PubChem CID106986659
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1NC(=O)C2C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO/c1-11-3-2-4-15-16(18(21)20-17(11)15)19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14,16H,5-10H2,1H3,(H,20,21)
InChIKeyPMQUNHDGZXIEKR-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-adamantyl)-7-bromo-1,3-dihydroindol-2-one
CID 106986661
7-methyl-3-[(2-methylcyclopropyl)amino]-1,3-dihydroindol-2-one
CID 115001699
3-cyclohexyl-7-methyl-1,3-dihydroindol-2-one
CID 82081633
7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one
CID 106986723
3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one
CID 106987031
3-anilino-7-methyl-1,3-dihydroindol-2-one
CID 114996622
3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one
CID 82236321
7-chloro-3-(1-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986742
2,5-dimethyl-4H-1,4-benzothiazin-3-one
CID 84619183
N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide
CID 7831985
7-methyl-3-(piperidin-3-ylmethyl)-1,3-dihydroindol-2-one
CID 84631458
9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79424608

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one (CID 106986659) is 3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one is Cc1cccc2c1NC(=O)C2C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is PMQUNHDGZXIEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-11-3-2-4-15-16(18(21)20-17(11)15)19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14,16H,5-10H2,1H3,(H,20,21).
What are the key properties of 3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one?
3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 281.40 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).