benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate

C18H19NO2 — CID 167740174

IUPACbenzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate
SMILESCc1cccc2c1C(NC(=O)OCc1ccccc1)CC2
InChIInChI=1S/C18H19NO2/c1-13-6-5-9-15-10-11-16(17(13)15)19-18(20)21-12-14-7-3-2-4-8-14/h2-9,16H,10-12H2,1H3,(H,19,20)
InChIKeyXFIGFWRFUUKMGK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.91
Rot. Bonds3

About benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate

benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate (PubChem CID 167740174) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate
PubChem CID167740174
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namebenzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate
SMILESCc1cccc2c1C(NC(=O)OCc1ccccc1)CC2
InChIInChI=1S/C18H19NO2/c1-13-6-5-9-15-10-11-16(17(13)15)19-18(20)21-12-14-7-3-2-4-8-14/h2-9,16H,10-12H2,1H3,(H,19,20)
InChIKeyXFIGFWRFUUKMGK-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate?
The IUPAC name of benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate (CID 167740174) is benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate.
What is the SMILES notation for benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate?
The canonical SMILES for benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate is Cc1cccc2c1C(NC(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate?
The InChIKey is XFIGFWRFUUKMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-6-5-9-15-10-11-16(17(13)15)19-18(20)21-12-14-7-3-2-4-8-14/h2-9,16H,10-12H2,1H3,(H,19,20).
What are the key properties of benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate?
benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate has a molecular weight of 281.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate is sourced from PubChem (CID 167740174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).