N-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide

C12H13NO2 — CID 86239067

IUPACN-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide
SMILESCN(C=O)c1ccc2c(c1)CCCC2=O
InChIInChI=1S/C12H13NO2/c1-13(8-14)10-5-6-11-9(7-10)3-2-4-12(11)15/h5-8H,2-4H2,1H3
InChIKeyCKRODSRIEBVPBY-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.80
Rot. Bonds2

About N-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide

N-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide (PubChem CID 86239067) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide.

Molecular Properties

Compound NameN-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide
PubChem CID86239067
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide
SMILESCN(C=O)c1ccc2c(c1)CCCC2=O
InChIInChI=1S/C12H13NO2/c1-13(8-14)10-5-6-11-9(7-10)3-2-4-12(11)15/h5-8H,2-4H2,1H3
InChIKeyCKRODSRIEBVPBY-UHFFFAOYSA-N
XLogP1.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
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-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide?
The IUPAC name of N-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide (CID 86239067) is N-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide.
What is the SMILES notation for N-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide?
The canonical SMILES for N-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide is CN(C=O)c1ccc2c(c1)CCCC2=O.
What is the InChIKey of N-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide?
The InChIKey is CKRODSRIEBVPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13(8-14)10-5-6-11-9(7-10)3-2-4-12(11)15/h5-8H,2-4H2,1H3.
What are the key properties of N-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide?
N-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide has a molecular weight of 203.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)formamide is sourced from PubChem (CID 86239067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).