1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one

C16H22N2O — CID 116962667

IUPAC1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one
SMILESCNC1CCC(c2ccc3c(c2)CC(=O)N3C)CC1
InChIInChI=1S/C16H22N2O/c1-17-14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16(19)18(15)2/h5,8-9,11,14,17H,3-4,6-7,10H2,1-2H3
InChIKeyPJIFSNMYVILZJQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.45
Rot. Bonds2

About 1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one

1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one (PubChem CID 116962667) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one
PubChem CID116962667
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one
SMILESCNC1CCC(c2ccc3c(c2)CC(=O)N3C)CC1
InChIInChI=1S/C16H22N2O/c1-17-14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16(19)18(15)2/h5,8-9,11,14,17H,3-4,6-7,10H2,1-2H3
InChIKeyPJIFSNMYVILZJQ-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one
CID 82284941
5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one
CID 115149338
5-(5-ethylpyrrolidin-3-yl)-1-methyl-3H-indol-2-one
CID 82622541
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
N-cycloheptyl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986175
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
5-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methyl-3H-indol-2-one
CID 154755113
1-methyl-5-[2-methyl-2-(methylamino)propyl]-3H-indol-2-one
CID 82289780
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one
CID 115227603
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one (CID 116962667) is 1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one is CNC1CCC(c2ccc3c(c2)CC(=O)N3C)CC1.
What is the InChIKey of 1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one?
The InChIKey is PJIFSNMYVILZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16(19)18(15)2/h5,8-9,11,14,17H,3-4,6-7,10H2,1-2H3.
What are the key properties of 1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one?
1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one is sourced from PubChem (CID 116962667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).