3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C15H16N2O2 — CID 103313550

IUPAC3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1NCc1ccoc1
InChIInChI=1S/C15H16N2O2/c18-15-14(16-9-11-7-8-19-10-11)6-5-12-3-1-2-4-13(12)17-15/h1-4,7-8,10,14,16H,5-6,9H2,(H,17,18)
InChIKeyIPSLVTVUBMVPRK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.32
Rot. Bonds3

About 3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103313550) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103313550
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1NCc1ccoc1
InChIInChI=1S/C15H16N2O2/c18-15-14(16-9-11-7-8-19-10-11)6-5-12-3-1-2-4-13(12)17-15/h1-4,7-8,10,14,16H,5-6,9H2,(H,17,18)
InChIKeyIPSLVTVUBMVPRK-UHFFFAOYSA-N
XLogP2.32
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103313550) is 3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1Nc2ccccc2CCC1NCc1ccoc1.
What is the InChIKey of 3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is IPSLVTVUBMVPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15-14(16-9-11-7-8-19-10-11)6-5-12-3-1-2-4-13(12)17-15/h1-4,7-8,10,14,16H,5-6,9H2,(H,17,18).
What are the key properties of 3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 256.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103313550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).