1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one

C19H23N3O — CID 134788831

IUPAC1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
SMILESCn1cccc1CN1CCC2(Cc3ccccc3CNC2=O)C1
InChIInChI=1S/C19H23N3O/c1-21-9-4-7-17(21)13-22-10-8-19(14-22)11-15-5-2-3-6-16(15)12-20-18(19)23/h2-7,9H,8,10-14H2,1H3,(H,20,23)
InChIKeyGOJHMCDVKQGZAQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.09
Rot. Bonds2

About 1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one

1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one (PubChem CID 134788831) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
PubChem CID134788831
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
SMILESCn1cccc1CN1CCC2(Cc3ccccc3CNC2=O)C1
InChIInChI=1S/C19H23N3O/c1-21-9-4-7-17(21)13-22-10-8-19(14-22)11-15-5-2-3-6-16(15)12-20-18(19)23/h2-7,9H,8,10-14H2,1H3,(H,20,23)
InChIKeyGOJHMCDVKQGZAQ-UHFFFAOYSA-N
XLogP2.09
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one (CID 134788831) is 1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one is Cn1cccc1CN1CCC2(Cc3ccccc3CNC2=O)C1.
What is the InChIKey of 1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one?
The InChIKey is GOJHMCDVKQGZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21-9-4-7-17(21)13-22-10-8-19(14-22)11-15-5-2-3-6-16(15)12-20-18(19)23/h2-7,9H,8,10-14H2,1H3,(H,20,23).
What are the key properties of 1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one?
1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one has a molecular weight of 309.41 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one is sourced from PubChem (CID 134788831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).