7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C17H21N3O2 — CID 99775329

IUPAC7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(N[C@H]3CCN(C4CC4)C3=O)ccc2N1
InChIInChI=1S/C17H21N3O2/c21-16-3-1-2-11-10-12(4-7-14(11)19-16)18-15-8-9-20(17(15)22)13-5-6-13/h4,7,10,13,15,18H,1-3,5-6,8-9H2,(H,19,21)/t15-/m0/s1
InChIKeyHEPOQOWYJACYGN-HNNXBMFYSA-N
MW299.37 g/mol
LogP2.14
Rot. Bonds3

About 7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 99775329) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID99775329
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(N[C@H]3CCN(C4CC4)C3=O)ccc2N1
InChIInChI=1S/C17H21N3O2/c21-16-3-1-2-11-10-12(4-7-14(11)19-16)18-15-8-9-20(17(15)22)13-5-6-13/h4,7,10,13,15,18H,1-3,5-6,8-9H2,(H,19,21)/t15-/m0/s1
InChIKeyHEPOQOWYJACYGN-HNNXBMFYSA-N
XLogP2.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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Related Compounds

7-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 95980194
7-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 96531363
6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43737988
7-[(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 126779369
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 166217928
(3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione
CID 51453721
3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide
CID 128751106
6-[(2,3-dimethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 64760457
5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one
CID 166324150
6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 65083527
6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 80560774
7-sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165333

Frequently Asked Questions

What is the IUPAC name of 7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 99775329) is 7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CCCc2cc(N[C@H]3CCN(C4CC4)C3=O)ccc2N1.
What is the InChIKey of 7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is HEPOQOWYJACYGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16-3-1-2-11-10-12(4-7-14(11)19-16)18-15-8-9-20(17(15)22)13-5-6-13/h4,7,10,13,15,18H,1-3,5-6,8-9H2,(H,19,21)/t15-/m0/s1.
What are the key properties of 7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 299.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 99775329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).