3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C17H24N2O — CID 103313430

IUPAC3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESC[C@H](NC1CCc2ccccc2NC1=O)C1CCCC1
InChIInChI=1S/C17H24N2O/c1-12(13-6-2-3-7-13)18-16-11-10-14-8-4-5-9-15(14)19-17(16)20/h4-5,8-9,12-13,16,18H,2-3,6-7,10-11H2,1H3,(H,19,20)/t12-,16?/m0/s1
InChIKeyBREDSGXUICXGSZ-HKALDPMFSA-N
MW272.39 g/mol
LogP3.11
Rot. Bonds3

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

3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103313430) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103313430
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESC[C@H](NC1CCc2ccccc2NC1=O)C1CCCC1
InChIInChI=1S/C17H24N2O/c1-12(13-6-2-3-7-13)18-16-11-10-14-8-4-5-9-15(14)19-17(16)20/h4-5,8-9,12-13,16,18H,2-3,6-7,10-11H2,1H3,(H,19,20)/t12-,16?/m0/s1
InChIKeyBREDSGXUICXGSZ-HKALDPMFSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103313430) is 3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is C[C@H](NC1CCc2ccccc2NC1=O)C1CCCC1.
What is the InChIKey of 3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is BREDSGXUICXGSZ-HKALDPMFSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(13-6-2-3-7-13)18-16-11-10-14-8-4-5-9-15(14)19-17(16)20/h4-5,8-9,12-13,16,18H,2-3,6-7,10-11H2,1H3,(H,19,20)/t12-,16?/m0/s1.
What are the key properties of 3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-cyclopentylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103313430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).