methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate

C15H24N2O2 — CID 83213418

IUPACmethyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate
SMILESCCCNC1CCCCc2cn(CC(=O)OC)cc21
InChIInChI=1S/C15H24N2O2/c1-3-8-16-14-7-5-4-6-12-9-17(10-13(12)14)11-15(18)19-2/h9-10,14,16H,3-8,11H2,1-2H3
InChIKeyHNVRBBDJBPHANJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.43
Rot. Bonds5

About methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate

methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate (PubChem CID 83213418) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate
PubChem CID83213418
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate
SMILESCCCNC1CCCCc2cn(CC(=O)OC)cc21
InChIInChI=1S/C15H24N2O2/c1-3-8-16-14-7-5-4-6-12-9-17(10-13(12)14)11-15(18)19-2/h9-10,14,16H,3-8,11H2,1-2H3
InChIKeyHNVRBBDJBPHANJ-UHFFFAOYSA-N
XLogP2.43
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate?
The IUPAC name of methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate (CID 83213418) is methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate is CCCNC1CCCCc2cn(CC(=O)OC)cc21.
What is the InChIKey of methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate?
The InChIKey is HNVRBBDJBPHANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-8-16-14-7-5-4-6-12-9-17(10-13(12)14)11-15(18)19-2/h9-10,14,16H,3-8,11H2,1-2H3.
What are the key properties of methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate?
methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate has a molecular weight of 264.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(propylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetate is sourced from PubChem (CID 83213418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).