[4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone

C21H26N2O2 — CID 166373453

IUPAC[4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone
SMILESCOCc1cc(C(=O)N2CCC3(CCCc4ccccc43)C2)n(C)c1
InChIInChI=1S/C21H26N2O2/c1-22-13-16(14-25-2)12-19(22)20(24)23-11-10-21(15-23)9-5-7-17-6-3-4-8-18(17)21/h3-4,6,8,12-13H,5,7,9-11,14-15H2,1-2H3
InChIKeyZCHYBHNRWUWGSD-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.29
Rot. Bonds3

About [4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone

[4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone (PubChem CID 166373453) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone
PubChem CID166373453
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone
SMILESCOCc1cc(C(=O)N2CCC3(CCCc4ccccc43)C2)n(C)c1
InChIInChI=1S/C21H26N2O2/c1-22-13-16(14-25-2)12-19(22)20(24)23-11-10-21(15-23)9-5-7-17-6-3-4-8-18(17)21/h3-4,6,8,12-13H,5,7,9-11,14-15H2,1-2H3
InChIKeyZCHYBHNRWUWGSD-UHFFFAOYSA-N
XLogP3.29
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone?
The IUPAC name of [4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone (CID 166373453) is [4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone.
What is the SMILES notation for [4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone?
The canonical SMILES for [4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone is COCc1cc(C(=O)N2CCC3(CCCc4ccccc43)C2)n(C)c1.
What is the InChIKey of [4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone?
The InChIKey is ZCHYBHNRWUWGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22-13-16(14-25-2)12-19(22)20(24)23-11-10-21(15-23)9-5-7-17-6-3-4-8-18(17)21/h3-4,6,8,12-13H,5,7,9-11,14-15H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone?
[4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone has a molecular weight of 338.45 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-1-methylpyrrol-2-yl]-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-ylmethanone is sourced from PubChem (CID 166373453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).