(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone

C16H22N2O — CID 107174842

IUPAC(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C16H22N2O/c1-10-4-3-5-14(10)16(19)18-11(2)8-12-9-13(17)6-7-15(12)18/h6-7,9-11,14H,3-5,8,17H2,1-2H3
InChIKeyXPPVQBYFBUGDSI-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.98
Rot. Bonds1

About (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone (PubChem CID 107174842) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone
PubChem CID107174842
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C16H22N2O/c1-10-4-3-5-14(10)16(19)18-11(2)8-12-9-13(17)6-7-15(12)18/h6-7,9-11,14H,3-5,8,17H2,1-2H3
InChIKeyXPPVQBYFBUGDSI-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone
CID 79751060
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152708
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278189
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
CID 107999893
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79985768
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanone
CID 43550152
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)octan-1-one
CID 43550092
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 43550159
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone
CID 43550096
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 43550098

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone (CID 107174842) is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone is CC1CCCC1C(=O)N1c2ccc(N)cc2CC1C.
What is the InChIKey of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone?
The InChIKey is XPPVQBYFBUGDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-4-3-5-14(10)16(19)18-11(2)8-12-9-13(17)6-7-15(12)18/h6-7,9-11,14H,3-5,8,17H2,1-2H3.
What are the key properties of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone?
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107174842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).