naphthalen-1-yl N-methyl-N-nitrosocarbamate

C12H10N2O3 — CID 23493

IUPACnaphthalen-1-yl N-methyl-N-nitrosocarbamate
SMILESCN(N=O)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C12H10N2O3/c1-14(13-16)12(15)17-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyFFSXTYIBUNXZMF-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.95
Rot. Bonds2

About naphthalen-1-yl N-methyl-N-nitrosocarbamate

naphthalen-1-yl N-methyl-N-nitrosocarbamate (PubChem CID 23493) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is naphthalen-1-yl N-methyl-N-nitrosocarbamate.

Molecular Properties

Compound Namenaphthalen-1-yl N-methyl-N-nitrosocarbamate
PubChem CID23493
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Namenaphthalen-1-yl N-methyl-N-nitrosocarbamate
SMILESCN(N=O)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C12H10N2O3/c1-14(13-16)12(15)17-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyFFSXTYIBUNXZMF-UHFFFAOYSA-N
XLogP2.95
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl N-methyl-N-nitrosocarbamate?
The IUPAC name of naphthalen-1-yl N-methyl-N-nitrosocarbamate (CID 23493) is naphthalen-1-yl N-methyl-N-nitrosocarbamate.
What is the SMILES notation for naphthalen-1-yl N-methyl-N-nitrosocarbamate?
The canonical SMILES for naphthalen-1-yl N-methyl-N-nitrosocarbamate is CN(N=O)C(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl N-methyl-N-nitrosocarbamate?
The InChIKey is FFSXTYIBUNXZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-14(13-16)12(15)17-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3.
What are the key properties of naphthalen-1-yl N-methyl-N-nitrosocarbamate?
naphthalen-1-yl N-methyl-N-nitrosocarbamate has a molecular weight of 230.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl N-methyl-N-nitrosocarbamate is sourced from PubChem (CID 23493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).