methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate

C17H23NO2 — CID 60998070

IUPACmethyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(NC2CCCCC2)CCc2ccccc21
InChIInChI=1S/C17H23NO2/c1-20-16(19)17(18-14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)17/h5-7,10,14,18H,2-4,8-9,11-12H2,1H3
InChIKeyUCXDPCUPAJOWPP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.92
Rot. Bonds3

About methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate

methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate (PubChem CID 60998070) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate
PubChem CID60998070
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namemethyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(NC2CCCCC2)CCc2ccccc21
InChIInChI=1S/C17H23NO2/c1-20-16(19)17(18-14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)17/h5-7,10,14,18H,2-4,8-9,11-12H2,1H3
InChIKeyUCXDPCUPAJOWPP-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate?
The IUPAC name of methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate (CID 60998070) is methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate is COC(=O)C1(NC2CCCCC2)CCc2ccccc21.
What is the InChIKey of methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate?
The InChIKey is UCXDPCUPAJOWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-20-16(19)17(18-14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)17/h5-7,10,14,18H,2-4,8-9,11-12H2,1H3.
What are the key properties of methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate?
methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 60998070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).