3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride

C15H21ClN2O2 — CID 18976161

IUPAC3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride
SMILESCOc1ccc2c(c1)N(C1CCCCC1)C(=O)C2N.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-19-11-7-8-12-13(9-11)17(15(18)14(12)16)10-5-3-2-4-6-10;/h7-10,14H,2-6,16H2,1H3;1H
InChIKeyDVAHGQUEYFGUAB-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.80
Rot. Bonds2

About 3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride

3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride (PubChem CID 18976161) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride
PubChem CID18976161
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride
SMILESCOc1ccc2c(c1)N(C1CCCCC1)C(=O)C2N.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-19-11-7-8-12-13(9-11)17(15(18)14(12)16)10-5-3-2-4-6-10;/h7-10,14H,2-6,16H2,1H3;1H
InChIKeyDVAHGQUEYFGUAB-UHFFFAOYSA-N
XLogP2.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one;hydrochloride
CID 71432476
3-amino-6-methoxy-1-phenyl-3H-indol-2-one
CID 15284631
(3R)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 51441516
(3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 98081143
4-(3-amino-6-methoxy-2-oxo-3H-indol-1-yl)butanenitrile
CID 114992908
3a-amino-2-cyclohexyl-7-methoxy-4,8b-dimethyl-1H-pyrrolo[3,4-b]indol-3-one
CID 51055665
3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
CID 43254974
3-chloro-1-cyclododecyl-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110583180
1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580936
CID 89225225
CID 89225225
1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide
CID 71049874
(8aR)-2-cyclohexyl-N-(3-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 9419667

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride?
The IUPAC name of 3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride (CID 18976161) is 3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride.
What is the SMILES notation for 3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride?
The canonical SMILES for 3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride is COc1ccc2c(c1)N(C1CCCCC1)C(=O)C2N.Cl.
What is the InChIKey of 3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride?
The InChIKey is DVAHGQUEYFGUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-19-11-7-8-12-13(9-11)17(15(18)14(12)16)10-5-3-2-4-6-10;/h7-10,14H,2-6,16H2,1H3;1H.
What are the key properties of 3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride?
3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohexyl-6-methoxy-3H-indol-2-one;hydrochloride is sourced from PubChem (CID 18976161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).