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

C12H15NO3 — CID 91631159

IUPACmethyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate
SMILESCOC(=O)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C12H15NO3/c1-16-11(14)13-8-12(15)6-9-4-2-3-5-10(9)7-12/h2-5,15H,6-8H2,1H3,(H,13,14)
InChIKeyIRGDTHMCOHAWFY-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.87
Rot. Bonds2

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

methyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate (PubChem CID 91631159) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate
PubChem CID91631159
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate
SMILESCOC(=O)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C12H15NO3/c1-16-11(14)13-8-12(15)6-9-4-2-3-5-10(9)7-12/h2-5,15H,6-8H2,1H3,(H,13,14)
InChIKeyIRGDTHMCOHAWFY-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)amino)-2-methyl-1-oxopropan-2-yl acetate
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1-(tert-butyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
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Fmoc-L-leucinol
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(R)-(9H-Fluoren-9-yl)methyl (1-hydroxy-4-methylpentan-2-yl)carbamate
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9H-fluoren-9-ylmethyl N-(2-butoxy-2-methylpropyl)carbamate
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[3-(2-Fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid
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[3-(4-Fluorophenyl)-2-hydroxy-2-methylpropyl]carbamic acid
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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate (CID 91631159) is methyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate is COC(=O)NCC1(O)Cc2ccccc2C1.
What is the InChIKey of methyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate?
The InChIKey is IRGDTHMCOHAWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-11(14)13-8-12(15)6-9-4-2-3-5-10(9)7-12/h2-5,15H,6-8H2,1H3,(H,13,14).
What are the key properties of methyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate?
methyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate has a molecular weight of 221.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]carbamate is sourced from PubChem (CID 91631159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).