methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate

C11H13NO2 — CID 90481970

IUPACmethyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
SMILESCOC(=O)Nc1cccc2c1CCC2
InChIInChI=1S/C11H13NO2/c1-14-11(13)12-10-7-3-5-8-4-2-6-9(8)10/h3,5,7H,2,4,6H2,1H3,(H,12,13)
InChIKeyPJTWZHCRIYBHBF-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.35
Rot. Bonds1

About methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate

methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate (PubChem CID 90481970) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
PubChem CID90481970
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
SMILESCOC(=O)Nc1cccc2c1CCC2
InChIInChI=1S/C11H13NO2/c1-14-11(13)12-10-7-3-5-8-4-2-6-9(8)10/h3,5,7H,2,4,6H2,1H3,(H,12,13)
InChIKeyPJTWZHCRIYBHBF-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
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tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate
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methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
CID 43179666
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
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1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
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Frequently Asked Questions

What is the IUPAC name of methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate?
The IUPAC name of methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate (CID 90481970) is methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate.
What is the SMILES notation for methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate?
The canonical SMILES for methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate is COC(=O)Nc1cccc2c1CCC2.
What is the InChIKey of methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate?
The InChIKey is PJTWZHCRIYBHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11(13)12-10-7-3-5-8-4-2-6-9(8)10/h3,5,7H,2,4,6H2,1H3,(H,12,13).
What are the key properties of methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate?
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate has a molecular weight of 191.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate is sourced from PubChem (CID 90481970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).