2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one

C11H10F2N2O — CID 130317310

IUPAC2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one
SMILESNC1C(=O)Nc2c(F)cc(F)cc2C2CC12
InChIInChI=1S/C11H10F2N2O/c12-4-1-7-5-3-6(5)9(14)11(16)15-10(7)8(13)2-4/h1-2,5-6,9H,3,14H2,(H,15,16)
InChIKeyBGTNZZIMCXRGPN-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.35
Rot. Bonds

About 2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one

2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one (PubChem CID 130317310) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one.

Molecular Properties

Compound Name2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one
PubChem CID130317310
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one
SMILESNC1C(=O)Nc2c(F)cc(F)cc2C2CC12
InChIInChI=1S/C11H10F2N2O/c12-4-1-7-5-3-6(5)9(14)11(16)15-10(7)8(13)2-4/h1-2,5-6,9H,3,14H2,(H,15,16)
InChIKeyBGTNZZIMCXRGPN-UHFFFAOYSA-N
XLogP1.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one?
The IUPAC name of 2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one (CID 130317310) is 2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one.
What is the SMILES notation for 2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one?
The canonical SMILES for 2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one is NC1C(=O)Nc2c(F)cc(F)cc2C2CC12.
What is the InChIKey of 2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one?
The InChIKey is BGTNZZIMCXRGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-4-1-7-5-3-6(5)9(14)11(16)15-10(7)8(13)2-4/h1-2,5-6,9H,3,14H2,(H,15,16).
What are the key properties of 2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one?
2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one has a molecular weight of 224.21 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one is sourced from PubChem (CID 130317310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).