(3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one

C18H24N2O — CID 66821245

IUPAC(3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one
SMILESCN1C[C@H]2CNC(=O)c3cc(C4CCCC4)ccc3[C@@H]2C1
InChIInChI=1S/C18H24N2O/c1-20-10-14-9-19-18(21)16-8-13(12-4-2-3-5-12)6-7-15(16)17(14)11-20/h6-8,12,14,17H,2-5,9-11H2,1H3,(H,19,21)/t14-,17-/m1/s1
InChIKeyGEUONDHSLZDHKM-RHSMWYFYSA-N
MW284.40 g/mol
LogP2.73
Rot. Bonds1

About (3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one

(3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one (PubChem CID 66821245) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one.

Molecular Properties

Compound Name(3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one
PubChem CID66821245
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one
SMILESCN1C[C@H]2CNC(=O)c3cc(C4CCCC4)ccc3[C@@H]2C1
InChIInChI=1S/C18H24N2O/c1-20-10-14-9-19-18(21)16-8-13(12-4-2-3-5-12)6-7-15(16)17(14)11-20/h6-8,12,14,17H,2-5,9-11H2,1H3,(H,19,21)/t14-,17-/m1/s1
InChIKeyGEUONDHSLZDHKM-RHSMWYFYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one with MolForge

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Related Compounds

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CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
N-ethyl-4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25216680
N-methyl-4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25216683
7-Methyl-1,2,3,4-tetrahydroisoquinolin-1-one
CID 15507355
(R)-N-isopropyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 45487774
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-dimethylbenzamide
CID 4661679
4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 9262304
N-cyclopentyl-3-oxo-2-propylisoindoline-4-carboxamide
CID 3237987
n-Cyclopentyl-4-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]benzamide
CID 25218143
N-ethyl-4-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25218268
N-methyl-4-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25218269

Frequently Asked Questions

What is the IUPAC name of (3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one?
The IUPAC name of (3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one (CID 66821245) is (3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one.
What is the SMILES notation for (3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one?
The canonical SMILES for (3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one is CN1C[C@H]2CNC(=O)c3cc(C4CCCC4)ccc3[C@@H]2C1.
What is the InChIKey of (3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one?
The InChIKey is GEUONDHSLZDHKM-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20-10-14-9-19-18(21)16-8-13(12-4-2-3-5-12)6-7-15(16)17(14)11-20/h6-8,12,14,17H,2-5,9-11H2,1H3,(H,19,21)/t14-,17-/m1/s1.
What are the key properties of (3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one?
(3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one has a molecular weight of 284.40 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,10bR)-8-cyclopentyl-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one is sourced from PubChem (CID 66821245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).