methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate

C17H17NO2 — CID 156536133

IUPACmethyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate
SMILESCOC(=O)C1Cc2cc3cnc(C4CC4)cc3cc2C1
InChIInChI=1S/C17H17NO2/c1-20-17(19)14-5-11-4-13-8-16(10-2-3-10)18-9-15(13)7-12(11)6-14/h4,7-10,14H,2-3,5-6H2,1H3
InChIKeyVTWDBRAXFWIGKS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.00
Rot. Bonds2

About methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate

methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate (PubChem CID 156536133) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate
PubChem CID156536133
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate
SMILESCOC(=O)C1Cc2cc3cnc(C4CC4)cc3cc2C1
InChIInChI=1S/C17H17NO2/c1-20-17(19)14-5-11-4-13-8-16(10-2-3-10)18-9-15(13)7-12(11)6-14/h4,7-10,14H,2-3,5-6H2,1H3
InChIKeyVTWDBRAXFWIGKS-UHFFFAOYSA-N
XLogP3.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate (CID 156536133) is methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate is COC(=O)C1Cc2cc3cnc(C4CC4)cc3cc2C1.
What is the InChIKey of methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate?
The InChIKey is VTWDBRAXFWIGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-17(19)14-5-11-4-13-8-16(10-2-3-10)18-9-15(13)7-12(11)6-14/h4,7-10,14H,2-3,5-6H2,1H3.
What are the key properties of methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate?
methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate is sourced from PubChem (CID 156536133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).