7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one

C13H17NO3 — CID 118281442

IUPAC7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCON(O)c1ccc2c(c1)C(=O)CCC2(C)C
InChIInChI=1S/C13H17NO3/c1-13(2)7-6-12(15)10-8-9(14(16)17-3)4-5-11(10)13/h4-5,8,16H,6-7H2,1-3H3
InChIKeySKUBHGZLASSNFO-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.70
Rot. Bonds2

About 7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one

7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one (PubChem CID 118281442) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one
PubChem CID118281442
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCON(O)c1ccc2c(c1)C(=O)CCC2(C)C
InChIInChI=1S/C13H17NO3/c1-13(2)7-6-12(15)10-8-9(14(16)17-3)4-5-11(10)13/h4-5,8,16H,6-7H2,1-3H3
InChIKeySKUBHGZLASSNFO-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The IUPAC name of 7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one (CID 118281442) is 7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one is CON(O)c1ccc2c(c1)C(=O)CCC2(C)C.
What is the InChIKey of 7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The InChIKey is SKUBHGZLASSNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2)7-6-12(15)10-8-9(14(16)17-3)4-5-11(10)13/h4-5,8,16H,6-7H2,1-3H3.
What are the key properties of 7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one has a molecular weight of 235.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[hydroxy(methoxy)amino]-4,4-dimethyl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 118281442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).