cesium;methylazanide;N-naphthalen-1-ylformamide

C12H13CsN2O — CID 145326564

IUPACcesium;methylazanide;N-naphthalen-1-ylformamide
SMILESC[NH-].O=CNc1cccc2ccccc12.[Cs+]
InChIInChI=1S/C11H9NO.CH4N.Cs/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11;1-2;/h1-8H,(H,12,13);2H,1H3;/q;-1;+1
InChIKeyOOFIVJGWULVYKJ-UHFFFAOYSA-N
MW334.15 g/mol
LogP0.08
Rot. Bonds2

About cesium;methylazanide;N-naphthalen-1-ylformamide

cesium;methylazanide;N-naphthalen-1-ylformamide (PubChem CID 145326564) has the molecular formula C12H13CsN2O and a molecular weight of 334.15 g/mol. Its IUPAC name is cesium;methylazanide;N-naphthalen-1-ylformamide.

Molecular Properties

Compound Namecesium;methylazanide;N-naphthalen-1-ylformamide
PubChem CID145326564
Molecular FormulaC12H13CsN2O
Molecular Weight334.15 g/mol
Exact Mass334.01
IUPAC Namecesium;methylazanide;N-naphthalen-1-ylformamide
SMILESC[NH-].O=CNc1cccc2ccccc12.[Cs+]
InChIInChI=1S/C11H9NO.CH4N.Cs/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11;1-2;/h1-8H,(H,12,13);2H,1H3;/q;-1;+1
InChIKeyOOFIVJGWULVYKJ-UHFFFAOYSA-N
XLogP0.08
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-acridin-1-ylformamide
CID 174650417
N-(5-bromonaphthalen-1-yl)formamide
CID 168652546
N-(4-methylnaphthalen-1-yl)formamide
CID 72513878
N-[2-[(2-formamidophenyl)methyl]phenyl]formamide
CID 54221440
N-(9H-carbazol-4-yl)formamide
CID 174728433
(3E)-1,7,7-trimethyl-3-[(naphthalen-1-ylamino)methylidene]bicyclo[2.2.1]heptan-2-one
CID 6157064
N-(2,3-dimethyl-1H-indol-7-yl)formamide
CID 174861152
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
azane;N-naphthalen-1-ylhydroxylamine
CID 146318651
N-(2-ethyltellanylphenyl)formamide
CID 13214788
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059

Frequently Asked Questions

What is the IUPAC name of cesium;methylazanide;N-naphthalen-1-ylformamide?
The IUPAC name of cesium;methylazanide;N-naphthalen-1-ylformamide (CID 145326564) is cesium;methylazanide;N-naphthalen-1-ylformamide.
What is the SMILES notation for cesium;methylazanide;N-naphthalen-1-ylformamide?
The canonical SMILES for cesium;methylazanide;N-naphthalen-1-ylformamide is C[NH-].O=CNc1cccc2ccccc12.[Cs+].
What is the InChIKey of cesium;methylazanide;N-naphthalen-1-ylformamide?
The InChIKey is OOFIVJGWULVYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.CH4N.Cs/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11;1-2;/h1-8H,(H,12,13);2H,1H3;/q;-1;+1.
What are the key properties of cesium;methylazanide;N-naphthalen-1-ylformamide?
cesium;methylazanide;N-naphthalen-1-ylformamide has a molecular weight of 334.15 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;methylazanide;N-naphthalen-1-ylformamide is sourced from PubChem (CID 145326564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).