(3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one

C19H19N3O2 — CID 92576146

IUPAC(3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
SMILESO=C1N[C@@]2(CCc3ccccc31)CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C19H19N3O2/c23-17-15-6-2-1-5-14(15)8-9-19(21-17)10-12-22(13-19)18(24)16-7-3-4-11-20-16/h1-7,11H,8-10,12-13H2,(H,21,23)/t19-/m0/s1
InChIKeyHIKKCKKCSJXOKO-IBGZPJMESA-N
MW321.38 g/mol
LogP2.04
Rot. Bonds1

About (3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one

(3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one (PubChem CID 92576146) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name(3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
PubChem CID92576146
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
SMILESO=C1N[C@@]2(CCc3ccccc31)CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C19H19N3O2/c23-17-15-6-2-1-5-14(15)8-9-19(21-17)10-12-22(13-19)18(24)16-7-3-4-11-20-16/h1-7,11H,8-10,12-13H2,(H,21,23)/t19-/m0/s1
InChIKeyHIKKCKKCSJXOKO-IBGZPJMESA-N
XLogP2.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(2-methylpyridine-3-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 110235901
(3R)-1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92605253
1'-[2-(4-fluorophenyl)acetyl]spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 110235655
1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 110235907
1'-benzoylspiro[2,4-dihydro-1,4-benzoxazepine-3,3'-pyrrolidine]-5-one
CID 134794243
(3S)-1'-[3-(3,4-difluorophenyl)propanoyl]spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92576137
8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47138301
(3R)-1'-[2-(3-methoxyphenyl)acetyl]spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92599236
(3S)-1'-benzylspiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92574801
1'-[2-(2,5-dimethoxyphenyl)acetyl]spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 110235899
2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
CID 127305942
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705

Frequently Asked Questions

What is the IUPAC name of (3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one?
The IUPAC name of (3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one (CID 92576146) is (3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for (3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one?
The canonical SMILES for (3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one is O=C1N[C@@]2(CCc3ccccc31)CCN(C(=O)c1ccccn1)C2.
What is the InChIKey of (3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one?
The InChIKey is HIKKCKKCSJXOKO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19N3O2/c23-17-15-6-2-1-5-14(15)8-9-19(21-17)10-12-22(13-19)18(24)16-7-3-4-11-20-16/h1-7,11H,8-10,12-13H2,(H,21,23)/t19-/m0/s1.
What are the key properties of (3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one?
(3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one has a molecular weight of 321.38 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-(pyridine-2-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 92576146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).