3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C15H20N2O2 — CID 103313547

IUPAC3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1NC1(CO)CCC1
InChIInChI=1S/C15H20N2O2/c18-10-15(8-3-9-15)17-13-7-6-11-4-1-2-5-12(11)16-14(13)19/h1-2,4-5,13,17-18H,3,6-10H2,(H,16,19)
InChIKeyPMXQXLFZTRAHFC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.44
Rot. Bonds3

About 3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103313547) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103313547
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1NC1(CO)CCC1
InChIInChI=1S/C15H20N2O2/c18-10-15(8-3-9-15)17-13-7-6-11-4-1-2-5-12(11)16-14(13)19/h1-2,4-5,13,17-18H,3,6-10H2,(H,16,19)
InChIKeyPMXQXLFZTRAHFC-UHFFFAOYSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103313547) is 3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1Nc2ccccc2CCC1NC1(CO)CCC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is PMXQXLFZTRAHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-10-15(8-3-9-15)17-13-7-6-11-4-1-2-5-12(11)16-14(13)19/h1-2,4-5,13,17-18H,3,6-10H2,(H,16,19).
What are the key properties of 3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclobutyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103313547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).