methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate

C12H15NO2 — CID 145156027

IUPACmethyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate
SMILESCOC(=O)NC1(C)CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-12(13-11(14)15-2)8-7-9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyGVIMQCOAUVPTJM-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.20
Rot. Bonds1

About methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate

methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate (PubChem CID 145156027) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate
PubChem CID145156027
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate
SMILESCOC(=O)NC1(C)CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-12(13-11(14)15-2)8-7-9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyGVIMQCOAUVPTJM-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate
CID 122550821
3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide
CID 122550804
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate
CID 145156063
tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate
CID 177368501
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
2-[(1-methyl-2,3-dihydroinden-1-yl)amino]ethanol
CID 130905101
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide
CID 52525290
tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 91387270
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
(1R)-N-hydroxy-1-methyl-2,3-dihydroindene-1-carboxamide
CID 129027598

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate?
The IUPAC name of methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate (CID 145156027) is methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate.
What is the SMILES notation for methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate?
The canonical SMILES for methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate is COC(=O)NC1(C)CCc2ccccc21.
What is the InChIKey of methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate?
The InChIKey is GVIMQCOAUVPTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(13-11(14)15-2)8-7-9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3,(H,13,14).
What are the key properties of methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate?
methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate has a molecular weight of 205.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate is sourced from PubChem (CID 145156027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).