N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide

C13H15NO2 — CID 22373951

IUPACN-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide
SMILESCC1(C)CCC(=O)c2cc(NC=O)ccc21
InChIInChI=1S/C13H15NO2/c1-13(2)6-5-12(16)10-7-9(14-8-15)3-4-11(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyFZYVEOOJGMHMCY-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.51
Rot. Bonds2

About N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide

N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide (PubChem CID 22373951) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide
PubChem CID22373951
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide
SMILESCC1(C)CCC(=O)c2cc(NC=O)ccc21
InChIInChI=1S/C13H15NO2/c1-13(2)6-5-12(16)10-7-9(14-8-15)3-4-11(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyFZYVEOOJGMHMCY-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide?
The IUPAC name of N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide (CID 22373951) is N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide.
What is the SMILES notation for N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide?
The canonical SMILES for N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide is CC1(C)CCC(=O)c2cc(NC=O)ccc21.
What is the InChIKey of N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide?
The InChIKey is FZYVEOOJGMHMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2)6-5-12(16)10-7-9(14-8-15)3-4-11(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide?
N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide has a molecular weight of 217.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)formamide is sourced from PubChem (CID 22373951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).