4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one

C10H13N2OP — CID 137391549

IUPAC4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one
SMILESNC1CCN(P)c2ccccc2C1=O
InChIInChI=1S/C10H13N2OP/c11-8-5-6-12(14)9-4-2-1-3-7(9)10(8)13/h1-4,8H,5-6,11,14H2
InChIKeyZRAXSCPBDJZWHC-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.20
Rot. Bonds

About 4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one

4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 137391549) has the molecular formula C10H13N2OP and a molecular weight of 208.20 g/mol. Its IUPAC name is 4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID137391549
Molecular FormulaC10H13N2OP
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one
SMILESNC1CCN(P)c2ccccc2C1=O
InChIInChI=1S/C10H13N2OP/c11-8-5-6-12(14)9-4-2-1-3-7(9)10(8)13/h1-4,8H,5-6,11,14H2
InChIKeyZRAXSCPBDJZWHC-UHFFFAOYSA-N
XLogP1.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one (CID 137391549) is 4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one is NC1CCN(P)c2ccccc2C1=O.
What is the InChIKey of 4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is ZRAXSCPBDJZWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2OP/c11-8-5-6-12(14)9-4-2-1-3-7(9)10(8)13/h1-4,8H,5-6,11,14H2.
What are the key properties of 4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one?
4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 208.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-phosphanyl-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 137391549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).