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

C21H24N2O — CID 155901303

IUPAC(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone
SMILESCN1CCCC12Cc1ccccc1CN(C(=O)c1ccccc1)C2
InChIInChI=1S/C21H24N2O/c1-22-13-7-12-21(22)14-18-10-5-6-11-19(18)15-23(16-21)20(24)17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
InChIKeyHNZVUAXWJRWGPT-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.35
Rot. Bonds1

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

(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone (PubChem CID 155901303) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone
PubChem CID155901303
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone
SMILESCN1CCCC12Cc1ccccc1CN(C(=O)c1ccccc1)C2
InChIInChI=1S/C21H24N2O/c1-22-13-7-12-21(22)14-18-10-5-6-11-19(18)15-23(16-21)20(24)17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
InChIKeyHNZVUAXWJRWGPT-UHFFFAOYSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone
CID 134790826
2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone
CID 134787447
phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone
CID 134790585
(4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone
CID 121450337
1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one
CID 97481590
1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
CID 134789096
1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone
CID 134788273
2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638275
[(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone
CID 97393407
1-[1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethanone
CID 155900251
1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethanone
CID 134791330
1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone
CID 166543592

Frequently Asked Questions

What is the IUPAC name of (1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone?
The IUPAC name of (1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone (CID 155901303) is (1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone.
What is the SMILES notation for (1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone?
The canonical SMILES for (1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone is CN1CCCC12Cc1ccccc1CN(C(=O)c1ccccc1)C2.
What is the InChIKey of (1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone?
The InChIKey is HNZVUAXWJRWGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-22-13-7-12-21(22)14-18-10-5-6-11-19(18)15-23(16-21)20(24)17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3.
What are the key properties of (1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone?
(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone has a molecular weight of 320.44 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone is sourced from PubChem (CID 155901303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).