2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone

C14H18N2O — CID 117045936

IUPAC2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone
SMILESNC(C(=O)N1CCCC2CC21)c1ccccc1
InChIInChI=1S/C14H18N2O/c15-13(10-5-2-1-3-6-10)14(17)16-8-4-7-11-9-12(11)16/h1-3,5-6,11-13H,4,7-9,15H2
InChIKeyFAZXDNAJMVSTAG-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.70
Rot. Bonds2

About 2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone

2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone (PubChem CID 117045936) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone
PubChem CID117045936
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone
SMILESNC(C(=O)N1CCCC2CC21)c1ccccc1
InChIInChI=1S/C14H18N2O/c15-13(10-5-2-1-3-6-10)14(17)16-8-4-7-11-9-12(11)16/h1-3,5-6,11-13H,4,7-9,15H2
InChIKeyFAZXDNAJMVSTAG-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone
CID 61164920
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-3-phenylpropan-1-one
CID 117045939
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106312449
2-amino-1-(3-cyclopropylmorpholin-4-yl)-2-phenylethanone
CID 91660196
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
2-amino-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylethanone
CID 60945116
(2S)-2-amino-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897452
(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 62889117
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloro-2-phenylethanone
CID 43628136
1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742931

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone (CID 117045936) is 2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone is NC(C(=O)N1CCCC2CC21)c1ccccc1.
What is the InChIKey of 2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone?
The InChIKey is FAZXDNAJMVSTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-13(10-5-2-1-3-6-10)14(17)16-8-4-7-11-9-12(11)16/h1-3,5-6,11-13H,4,7-9,15H2.
What are the key properties of 2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone?
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone has a molecular weight of 230.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone is sourced from PubChem (CID 117045936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).