1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one

C15H17NO2 — CID 173281078

IUPAC1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one
SMILESCC(C)(C)N(O)C=C1C(=O)C=Cc2ccccc21
InChIInChI=1S/C15H17NO2/c1-15(2,3)16(18)10-13-12-7-5-4-6-11(12)8-9-14(13)17/h4-10,18H,1-3H3
InChIKeyKHZHWEIMCCVDFA-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.11
Rot. Bonds1

About 1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one

1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one (PubChem CID 173281078) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one.

Molecular Properties

Compound Name1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one
PubChem CID173281078
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one
SMILESCC(C)(C)N(O)C=C1C(=O)C=Cc2ccccc21
InChIInChI=1S/C15H17NO2/c1-15(2,3)16(18)10-13-12-7-5-4-6-11(12)8-9-14(13)17/h4-10,18H,1-3H3
InChIKeyKHZHWEIMCCVDFA-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-[(N-hydroxy-4-nitroanilino)methylidene]naphthalen-2-one
CID 12963086
(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one
CID 59427156
(1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one
CID 6610966
bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)
CID 5479998
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 3096049
1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 1228552
(1Z)-1-[(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 135962756
1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium
CID 6850302
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one
CID 137047347
(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 135996792
1-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 814567
(1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 135481408

Frequently Asked Questions

What is the IUPAC name of 1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one?
The IUPAC name of 1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one (CID 173281078) is 1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one.
What is the SMILES notation for 1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one?
The canonical SMILES for 1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one is CC(C)(C)N(O)C=C1C(=O)C=Cc2ccccc21.
What is the InChIKey of 1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one?
The InChIKey is KHZHWEIMCCVDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(2,3)16(18)10-13-12-7-5-4-6-11(12)8-9-14(13)17/h4-10,18H,1-3H3.
What are the key properties of 1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one?
1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one is sourced from PubChem (CID 173281078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).