methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate

C12H14ClNO2 — CID 166766513

IUPACmethyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate
SMILESCNC1(C(=O)OC)Cc2cccc(Cl)c2C1
InChIInChI=1S/C12H14ClNO2/c1-14-12(11(15)16-2)6-8-4-3-5-10(13)9(8)7-12/h3-5,14H,6-7H2,1-2H3
InChIKeyLXSGOJZGJCILNT-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.57
Rot. Bonds2

About methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate

methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate (PubChem CID 166766513) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate
PubChem CID166766513
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Namemethyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate
SMILESCNC1(C(=O)OC)Cc2cccc(Cl)c2C1
InChIInChI=1S/C12H14ClNO2/c1-14-12(11(15)16-2)6-8-4-3-5-10(13)9(8)7-12/h3-5,14H,6-7H2,1-2H3
InChIKeyLXSGOJZGJCILNT-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate (CID 166766513) is methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate is CNC1(C(=O)OC)Cc2cccc(Cl)c2C1.
What is the InChIKey of methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate?
The InChIKey is LXSGOJZGJCILNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-14-12(11(15)16-2)6-8-4-3-5-10(13)9(8)7-12/h3-5,14H,6-7H2,1-2H3.
What are the key properties of methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate?
methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate has a molecular weight of 239.70 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(methylamino)-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 166766513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).