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

C13H17NO3 — CID 91631257

IUPACmethyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate
SMILESCOC(=O)NCC1(OC)Cc2ccccc2C1
InChIInChI=1S/C13H17NO3/c1-16-12(15)14-9-13(17-2)7-10-5-3-4-6-11(10)8-13/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyVNPGIFQUYMWANC-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.53
Rot. Bonds3

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

methyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate (PubChem CID 91631257) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate
PubChem CID91631257
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate
SMILESCOC(=O)NCC1(OC)Cc2ccccc2C1
InChIInChI=1S/C13H17NO3/c1-16-12(15)14-9-13(17-2)7-10-5-3-4-6-11(10)8-13/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyVNPGIFQUYMWANC-UHFFFAOYSA-N
XLogP1.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(9H-fluoren-9-yl)methyl N-(2-hydroxy-2-methylpropyl)carbamate
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methyl ((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)carbamate
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1-(((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)amino)-2-methyl-1-oxopropan-2-yl acetate
CID 91631197
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pivalamide
CID 91631261
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)cyclohex-3-enecarboxamide
CID 91631310
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-oxoimidazolidine-1-carboxamide
CID 91631319
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631365
1-(tert-butyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631367
tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate
CID 11361883
Fmoc-n-pentylamine
CID 21064543

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate (CID 91631257) is methyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate is COC(=O)NCC1(OC)Cc2ccccc2C1.
What is the InChIKey of methyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate?
The InChIKey is VNPGIFQUYMWANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-12(15)14-9-13(17-2)7-10-5-3-4-6-11(10)8-13/h3-6H,7-9H2,1-2H3,(H,14,15).
What are the key properties of methyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate?
methyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate has a molecular weight of 235.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]carbamate is sourced from PubChem (CID 91631257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).