(1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone

C19H26N2O2 — CID 143426982

IUPAC(1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone
SMILESCC1CCN2CC(C(=O)N3CCOCC3)Cc3ccccc3C12
InChIInChI=1S/C19H26N2O2/c1-14-6-7-21-13-16(19(22)20-8-10-23-11-9-20)12-15-4-2-3-5-17(15)18(14)21/h2-5,14,16,18H,6-13H2,1H3
InChIKeyNYOONVOQQILEKH-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.10
Rot. Bonds1

About (1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone

(1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone (PubChem CID 143426982) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone
PubChem CID143426982
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone
SMILESCC1CCN2CC(C(=O)N3CCOCC3)Cc3ccccc3C12
InChIInChI=1S/C19H26N2O2/c1-14-6-7-21-13-16(19(22)20-8-10-23-11-9-20)12-15-4-2-3-5-17(15)18(14)21/h2-5,14,16,18H,6-13H2,1H3
InChIKeyNYOONVOQQILEKH-UHFFFAOYSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone with MolForge

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Related Compounds

[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid
CID 118657178
[1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 97192479
2,3-dimethoxy-5-methyl-6-[(1S,3R)-3-(morpholine-4-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexa-2,5-diene-1,4-dione
CID 10598463
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
2,3-dihydro-1H-inden-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 112531224
[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51238687
3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
CID 64592075
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916
[1-[2-(azetidin-3-yl)phenyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 174570951
4-(morpholine-4-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113189973

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone (CID 143426982) is (1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone is CC1CCN2CC(C(=O)N3CCOCC3)Cc3ccccc3C12.
What is the InChIKey of (1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone?
The InChIKey is NYOONVOQQILEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-6-7-21-13-16(19(22)20-8-10-23-11-9-20)12-15-4-2-3-5-17(15)18(14)21/h2-5,14,16,18H,6-13H2,1H3.
What are the key properties of (1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone?
(1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone has a molecular weight of 314.43 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 143426982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).