3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one

C14H18N2O — CID 126522740

IUPAC3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one
SMILESNC1CCCC(c2c[nH]c3c2=CC(=O)CC=3)C1
InChIInChI=1S/C14H18N2O/c15-10-3-1-2-9(6-10)13-8-16-14-5-4-11(17)7-12(13)14/h5,7-10,16H,1-4,6,15H2
InChIKeyIASDXMSYNUTAFG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.53
Rot. Bonds1

About 3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one

3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one (PubChem CID 126522740) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one
PubChem CID126522740
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one
SMILESNC1CCCC(c2c[nH]c3c2=CC(=O)CC=3)C1
InChIInChI=1S/C14H18N2O/c15-10-3-1-2-9(6-10)13-8-16-14-5-4-11(17)7-12(13)14/h5,7-10,16H,1-4,6,15H2
InChIKeyIASDXMSYNUTAFG-UHFFFAOYSA-N
XLogP0.53
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one?
The IUPAC name of 3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one (CID 126522740) is 3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one.
What is the SMILES notation for 3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one?
The canonical SMILES for 3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one is NC1CCCC(c2c[nH]c3c2=CC(=O)CC=3)C1.
What is the InChIKey of 3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one?
The InChIKey is IASDXMSYNUTAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-10-3-1-2-9(6-10)13-8-16-14-5-4-11(17)7-12(13)14/h5,7-10,16H,1-4,6,15H2.
What are the key properties of 3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one?
3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one has a molecular weight of 230.31 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)-1,6-dihydroindol-5-one is sourced from PubChem (CID 126522740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).