[3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

C15H20N2O2 — CID 162625391

IUPAC[3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(N1CCc2ccccc2CC1)C1(CO)CNC1
InChIInChI=1S/C15H20N2O2/c18-11-15(9-16-10-15)14(19)17-7-5-12-3-1-2-4-13(12)6-8-17/h1-4,16,18H,5-11H2
InChIKeyRWPAUOZMLJBUCQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.20
Rot. Bonds2

About [3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

[3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (PubChem CID 162625391) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
PubChem CID162625391
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(N1CCc2ccccc2CC1)C1(CO)CNC1
InChIInChI=1S/C15H20N2O2/c18-11-15(9-16-10-15)14(19)17-7-5-12-3-1-2-4-13(12)6-8-17/h1-4,16,18H,5-11H2
InChIKeyRWPAUOZMLJBUCQ-UHFFFAOYSA-N
XLogP0.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 80599164
[3-(hydroxymethyl)azetidin-3-yl]-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 170508387
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 22741766
azepan-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 116656264
3-sulfanyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 107030708
(3-ethyl-7,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-piperazin-1-ylmethanone
CID 162526154
5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 27396946
2-propan-2-yloxy-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 112691124
2,2-difluoro-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 103515726

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (CID 162625391) is [3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is O=C(N1CCc2ccccc2CC1)C1(CO)CNC1.
What is the InChIKey of [3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The InChIKey is RWPAUOZMLJBUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-11-15(9-16-10-15)14(19)17-7-5-12-3-1-2-4-13(12)6-8-17/h1-4,16,18H,5-11H2.
What are the key properties of [3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
[3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)azetidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is sourced from PubChem (CID 162625391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).