methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate

C17H19NO2 — CID 59271910

IUPACmethyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate
SMILESCOC(=O)C1=C(N)CC2=C1CCC(c1ccccc1)C2
InChIInChI=1S/C17H19NO2/c1-20-17(19)16-14-8-7-12(9-13(14)10-15(16)18)11-5-3-2-4-6-11/h2-6,12H,7-10,18H2,1H3
InChIKeySZUXPWOVITYFTP-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.04
Rot. Bonds2

About methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate

methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate (PubChem CID 59271910) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate
PubChem CID59271910
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate
SMILESCOC(=O)C1=C(N)CC2=C1CCC(c1ccccc1)C2
InChIInChI=1S/C17H19NO2/c1-20-17(19)16-14-8-7-12(9-13(14)10-15(16)18)11-5-3-2-4-6-11/h2-6,12H,7-10,18H2,1H3
InChIKeySZUXPWOVITYFTP-UHFFFAOYSA-N
XLogP3.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate?
The IUPAC name of methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate (CID 59271910) is methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate.
What is the SMILES notation for methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate?
The canonical SMILES for methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate is COC(=O)C1=C(N)CC2=C1CCC(c1ccccc1)C2.
What is the InChIKey of methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate?
The InChIKey is SZUXPWOVITYFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-17(19)16-14-8-7-12(9-13(14)10-15(16)18)11-5-3-2-4-6-11/h2-6,12H,7-10,18H2,1H3.
What are the key properties of methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate?
methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-phenyl-4,5,6,7-tetrahydro-3H-indene-1-carboxylate is sourced from PubChem (CID 59271910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).