3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one

C14H20N2O — CID 10513774

IUPAC3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one
SMILESO=C1NC2=CCCCC2=C1NC1CCCCC1
InChIInChI=1S/C14H20N2O/c17-14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h9-10,15H,1-8H2,(H,16,17)
InChIKeyQDQVFHNDVGCFFE-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.36
Rot. Bonds2

About 3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one

3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one (PubChem CID 10513774) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one.

Molecular Properties

Compound Name3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one
PubChem CID10513774
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one
SMILESO=C1NC2=CCCCC2=C1NC1CCCCC1
InChIInChI=1S/C14H20N2O/c17-14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h9-10,15H,1-8H2,(H,16,17)
InChIKeyQDQVFHNDVGCFFE-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

10-fluoro-3,4,5a,6,7,8-hexahydro-2H-pyrazino[1,2-a]indol-1-one
CID 89542654
(4Z)-N-(2,5-diaminopentyl)-4-[2-(4-fluorocyclohexa-1,3-dien-1-yl)prop-2-enylidene]-5-methylidene-1H-pyrrole-2-carboxamide
CID 142426035
N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175565382
N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175565401
3-Amino-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 33698426
3-(cyclohexylamino)-1-(4-iodobutyl)-5,6-dihydro-4H-indol-2-one
CID 10645439
1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea
CID 13469997
7-Ethyl-6-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one
CID 53910867
N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide
CID 71207350
(12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one
CID 90136318
1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 118146136
N-cyclohexyl-1,4,6-trimethyl-7,7a-dihydroindole-2-carboxamide
CID 118472694

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one?
The IUPAC name of 3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one (CID 10513774) is 3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one.
What is the SMILES notation for 3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one?
The canonical SMILES for 3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one is O=C1NC2=CCCCC2=C1NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one?
The InChIKey is QDQVFHNDVGCFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h9-10,15H,1-8H2,(H,16,17).
What are the key properties of 3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one?
3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-1,4,5,6-tetrahydroindol-2-one is sourced from PubChem (CID 10513774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).