methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate

C11H11NO3 — CID 123745336

IUPACmethyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CC(N=O)c2ccccc21
InChIInChI=1S/C11H11NO3/c1-15-11(13)9-6-10(12-14)8-5-3-2-4-7(8)9/h2-5,9-10H,6H2,1H3
InChIKeyWRSNCUQIFJDEAD-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.15
Rot. Bonds2

About methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate

methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 123745336) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID123745336
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CC(N=O)c2ccccc21
InChIInChI=1S/C11H11NO3/c1-15-11(13)9-6-10(12-14)8-5-3-2-4-7(8)9/h2-5,9-10H,6H2,1H3
InChIKeyWRSNCUQIFJDEAD-UHFFFAOYSA-N
XLogP2.15
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate
CID 122163688
rac-(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxylic acid hydrochloride
CID 132342251
(1S,3R)-3-Amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 1502027
3-amino-5-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82158196
3-amino-7-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82158197
methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
CID 123203152
methyl 3-amino-4-fluoro-2,3-dihydro-1H-indene-1-carboxylate
CID 123233906
3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 123294944
methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate
CID 123342266
methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
CID 123350598
methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
CID 123356982
methyl 3-amino-5-fluoro-2,3-dihydro-1H-indene-1-carboxylate
CID 123388948

Frequently Asked Questions

What is the IUPAC name of methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate (CID 123745336) is methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate is COC(=O)C1CC(N=O)c2ccccc21.
What is the InChIKey of methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is WRSNCUQIFJDEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-11(13)9-6-10(12-14)8-5-3-2-4-7(8)9/h2-5,9-10H,6H2,1H3.
What are the key properties of methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 123745336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).