4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one

C11H13NO2 — CID 152788699

IUPAC4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESNCC1CC(=O)Cc2cc(O)ccc21
InChIInChI=1S/C11H13NO2/c12-6-8-5-10(14)4-7-3-9(13)1-2-11(7)8/h1-3,8,13H,4-6,12H2
InChIKeySDKDTNZRDBYESG-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.95
Rot. Bonds1

About 4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one

4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 152788699) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID152788699
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESNCC1CC(=O)Cc2cc(O)ccc21
InChIInChI=1S/C11H13NO2/c12-6-8-5-10(14)4-7-3-9(13)1-2-11(7)8/h1-3,8,13H,4-6,12H2
InChIKeySDKDTNZRDBYESG-UHFFFAOYSA-N
XLogP0.95
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-aminobicyclo[4.2.0]octa-1(6),2,4-trien-3-ol
CID 105427853
(3-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methylcarbamic acid
CID 141182743
2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 45098204
[7-(aminomethyl)-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl] trifluoromethanesulfonate
CID 87486966
3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
CID 167179396
(7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15718602
(3R)-3-amino-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 86339030
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol
CID 84663504
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
2-bromo-5-hydroxy-2,3-dihydroinden-1-one
CID 71600332
(1R,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-5,13-diol
CID 15359812

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one (CID 152788699) is 4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one is NCC1CC(=O)Cc2cc(O)ccc21.
What is the InChIKey of 4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is SDKDTNZRDBYESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-6-8-5-10(14)4-7-3-9(13)1-2-11(7)8/h1-3,8,13H,4-6,12H2.
What are the key properties of 4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 152788699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).