(1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone

C13H16N2O — CID 117045638

IUPAC(1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone
SMILESNC12CC1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C13H16N2O/c14-13-8-11(13)6-7-15(9-13)12(16)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2
InChIKeyFZRGNTKKZJCSCH-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.25
Rot. Bonds1

About (1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone

(1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone (PubChem CID 117045638) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone
PubChem CID117045638
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone
SMILESNC12CC1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C13H16N2O/c14-13-8-11(13)6-7-15(9-13)12(16)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2
InChIKeyFZRGNTKKZJCSCH-UHFFFAOYSA-N
XLogP1.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
[(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone
CID 98815728
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
CID 58285191
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 2822452
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115269824

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone?
The IUPAC name of (1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone (CID 117045638) is (1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone.
What is the SMILES notation for (1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone?
The canonical SMILES for (1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone is NC12CC1CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of (1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone?
The InChIKey is FZRGNTKKZJCSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-13-8-11(13)6-7-15(9-13)12(16)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2.
What are the key properties of (1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone?
(1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone has a molecular weight of 216.28 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-azabicyclo[4.1.0]heptan-3-yl)-phenylmethanone is sourced from PubChem (CID 117045638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).