formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane

C12H15NO2 — CID 142422477

IUPACformic acid;3-phenyl-3-azabicyclo[3.1.0]hexane
SMILESO=CO.c1ccc(N2CC3CC3C2)cc1
InChIInChI=1S/C11H13N.CH2O2/c1-2-4-11(5-3-1)12-7-9-6-10(9)8-12;2-1-3/h1-5,9-10H,6-8H2;1H,(H,2,3)
InChIKeyZLVISLFDHQCLJZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.84
Rot. Bonds1

About formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane

formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane (PubChem CID 142422477) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameformic acid;3-phenyl-3-azabicyclo[3.1.0]hexane
PubChem CID142422477
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameformic acid;3-phenyl-3-azabicyclo[3.1.0]hexane
SMILESO=CO.c1ccc(N2CC3CC3C2)cc1
InChIInChI=1S/C11H13N.CH2O2/c1-2-4-11(5-3-1)12-7-9-6-10(9)8-12;2-1-3/h1-5,9-10H,6-8H2;1H,(H,2,3)
InChIKeyZLVISLFDHQCLJZ-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone
CID 1481130
3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane
CID 84766951
3-phenyl-6-thia-3-azabicyclo[3.1.1]heptane
CID 84772140
2-(3-azabicyclo[3.1.0]hexan-3-yl)benzoic acid
CID 83819594
2-(1,3-diphenyl-1,3-diazinan-5-yl)-2-oxoacetaldehyde
CID 174395602
3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
CID 175933789
2-phenyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 72615288
CID 23526722
CID 23526722
(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid
CID 69232733
1-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone
CID 126559698
1-(1-phenylazetidin-3-yl)pyrazole-4-carbaldehyde
CID 139535553
(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid
CID 162471093

Frequently Asked Questions

What is the IUPAC name of formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane (CID 142422477) is formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane is O=CO.c1ccc(N2CC3CC3C2)cc1.
What is the InChIKey of formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is ZLVISLFDHQCLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.CH2O2/c1-2-4-11(5-3-1)12-7-9-6-10(9)8-12;2-1-3/h1-5,9-10H,6-8H2;1H,(H,2,3).
What are the key properties of formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane?
formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 205.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 142422477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).