naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate

C16H15NO2 — CID 66781493

IUPACnaphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate
SMILESO=C(OCc1ccc2ccccc2c1)N1CC=CC1
InChIInChI=1S/C16H15NO2/c18-16(17-9-3-4-10-17)19-12-13-7-8-14-5-1-2-6-15(14)11-13/h1-8,11H,9-10,12H2
InChIKeyLIUGPBDTVNJNKI-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.35
Rot. Bonds2

About naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate

naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate (PubChem CID 66781493) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate
PubChem CID66781493
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namenaphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate
SMILESO=C(OCc1ccc2ccccc2c1)N1CC=CC1
InChIInChI=1S/C16H15NO2/c18-16(17-9-3-4-10-17)19-12-13-7-8-14-5-1-2-6-15(14)11-13/h1-8,11H,9-10,12H2
InChIKeyLIUGPBDTVNJNKI-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate 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 naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate (CID 66781493) is naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate is O=C(OCc1ccc2ccccc2c1)N1CC=CC1.
What is the InChIKey of naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate?
The InChIKey is LIUGPBDTVNJNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(17-9-3-4-10-17)19-12-13-7-8-14-5-1-2-6-15(14)11-13/h1-8,11H,9-10,12H2.
What are the key properties of naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate?
naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl 2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 66781493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).