5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one

C15H20N2O — CID 82497597

IUPAC5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one
SMILESNCC1(c2ccc3c(c2)CC(=O)N3)CCCCC1
InChIInChI=1S/C15H20N2O/c16-10-15(6-2-1-3-7-15)12-4-5-13-11(8-12)9-14(18)17-13/h4-5,8H,1-3,6-7,9-10,16H2,(H,17,18)
InChIKeySCQWSXCUSOEKLB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.34
Rot. Bonds2

About 5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one

5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one (PubChem CID 82497597) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one
PubChem CID82497597
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one
SMILESNCC1(c2ccc3c(c2)CC(=O)N3)CCCCC1
InChIInChI=1S/C15H20N2O/c16-10-15(6-2-1-3-7-15)12-4-5-13-11(8-12)9-14(18)17-13/h4-5,8H,1-3,6-7,9-10,16H2,(H,17,18)
InChIKeySCQWSXCUSOEKLB-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(2-sulfanylethyl)oxetan-3-yl]-1,3-dihydroindol-2-one
CID 116872550
5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872639
N-[1-(aminomethyl)cyclopentyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711541
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one
CID 141283388
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119567049
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 115271278
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
N-methyl-1-(2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carbohydrazide
CID 116846053
5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872972
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one (CID 82497597) is 5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one is NCC1(c2ccc3c(c2)CC(=O)N3)CCCCC1.
What is the InChIKey of 5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one?
The InChIKey is SCQWSXCUSOEKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-10-15(6-2-1-3-7-15)12-4-5-13-11(8-12)9-14(18)17-13/h4-5,8H,1-3,6-7,9-10,16H2,(H,17,18).
What are the key properties of 5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one?
5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82497597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).