3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one

C17H25N3O — CID 118740601

IUPAC3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one
SMILESCN1CCC2(Cc3ccccc3CN(C(=O)CCN)C2)C1
InChIInChI=1S/C17H25N3O/c1-19-9-7-17(12-19)10-14-4-2-3-5-15(14)11-20(13-17)16(21)6-8-18/h2-5H,6-13,18H2,1H3
InChIKeyIOGWYSLQCCQMGP-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.24
Rot. Bonds2

About 3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one

3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one (PubChem CID 118740601) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one
PubChem CID118740601
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one
SMILESCN1CCC2(Cc3ccccc3CN(C(=O)CCN)C2)C1
InChIInChI=1S/C17H25N3O/c1-19-9-7-17(12-19)10-14-4-2-3-5-15(14)11-20(13-17)16(21)6-8-18/h2-5H,6-13,18H2,1H3
InChIKeyIOGWYSLQCCQMGP-UHFFFAOYSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one?
The IUPAC name of 3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one (CID 118740601) is 3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one is CN1CCC2(Cc3ccccc3CN(C(=O)CCN)C2)C1.
What is the InChIKey of 3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one?
The InChIKey is IOGWYSLQCCQMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-9-7-17(12-19)10-14-4-2-3-5-15(14)11-20(13-17)16(21)6-8-18/h2-5H,6-13,18H2,1H3.
What are the key properties of 3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one?
3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one has a molecular weight of 287.41 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one is sourced from PubChem (CID 118740601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).