2-(cyclohexylamino)-2,3-dihydroinden-1-one

C15H19NO — CID 145356897

IUPAC2-(cyclohexylamino)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1NC1CCCCC1
InChIInChI=1S/C15H19NO/c17-15-13-9-5-4-6-11(13)10-14(15)16-12-7-2-1-3-8-12/h4-6,9,12,14,16H,1-3,7-8,10H2
InChIKeySWIWWXRYTKQEBQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.72
Rot. Bonds2

About 2-(cyclohexylamino)-2,3-dihydroinden-1-one

2-(cyclohexylamino)-2,3-dihydroinden-1-one (PubChem CID 145356897) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-2,3-dihydroinden-1-one
PubChem CID145356897
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(cyclohexylamino)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1NC1CCCCC1
InChIInChI=1S/C15H19NO/c17-15-13-9-5-4-6-11(13)10-14(15)16-12-7-2-1-3-8-12/h4-6,9,12,14,16H,1-3,7-8,10H2
InChIKeySWIWWXRYTKQEBQ-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-2-(sulfinatoamino)-1,2-dihydroindene
CID 18764768
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium
CID 22974589
2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide
CID 11425044
2,2,2-trifluoro-N-[(2R)-3-oxo-1,2-dihydroinden-2-yl]acetamide
CID 177402661
2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84620035
3-(cyclooctylamino)-3H-2-benzofuran-1-one
CID 18876437
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
2-fluoro-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide
CID 134115762
(2R)-2-hydroxy-2,3-dihydroinden-1-one
CID 11137320
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2,3-dihydroinden-1-one?
The IUPAC name of 2-(cyclohexylamino)-2,3-dihydroinden-1-one (CID 145356897) is 2-(cyclohexylamino)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(cyclohexylamino)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(cyclohexylamino)-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-2,3-dihydroinden-1-one?
The InChIKey is SWIWWXRYTKQEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15-13-9-5-4-6-11(13)10-14(15)16-12-7-2-1-3-8-12/h4-6,9,12,14,16H,1-3,7-8,10H2.
What are the key properties of 2-(cyclohexylamino)-2,3-dihydroinden-1-one?
2-(cyclohexylamino)-2,3-dihydroinden-1-one has a molecular weight of 229.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2,3-dihydroinden-1-one is sourced from PubChem (CID 145356897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).