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

C15H24N2O2 — CID 83208652

IUPACmethyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate
SMILESCNC1CCCCc2cn(CCCC(=O)OC)cc21
InChIInChI=1S/C15H24N2O2/c1-16-14-7-4-3-6-12-10-17(11-13(12)14)9-5-8-15(18)19-2/h10-11,14,16H,3-9H2,1-2H3
InChIKeyQRFACSPQKSUSMA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.43
Rot. Bonds5

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

methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate (PubChem CID 83208652) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate
PubChem CID83208652
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate
SMILESCNC1CCCCc2cn(CCCC(=O)OC)cc21
InChIInChI=1S/C15H24N2O2/c1-16-14-7-4-3-6-12-10-17(11-13(12)14)9-5-8-15(18)19-2/h10-11,14,16H,3-9H2,1-2H3
InChIKeyQRFACSPQKSUSMA-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

Analyze methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate?
The IUPAC name of methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate (CID 83208652) is methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate.
What is the SMILES notation for methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate?
The canonical SMILES for methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate is CNC1CCCCc2cn(CCCC(=O)OC)cc21.
What is the InChIKey of methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate?
The InChIKey is QRFACSPQKSUSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16-14-7-4-3-6-12-10-17(11-13(12)14)9-5-8-15(18)19-2/h10-11,14,16H,3-9H2,1-2H3.
What are the key properties of methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate?
methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate 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 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate is sourced from PubChem (CID 83208652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).