(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid

C12H14N2O2 — CID 69232733

IUPAC(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid
SMILESO=C(O)NC1C2CN(c3ccccc3)CC21
InChIInChI=1S/C12H14N2O2/c15-12(16)13-11-9-6-14(7-10(9)11)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2,(H,15,16)
InChIKeyDHEMZMVAOPTHAQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.39
Rot. Bonds2

About (3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid

(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid (PubChem CID 69232733) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid.

Molecular Properties

Compound Name(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid
PubChem CID69232733
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid
SMILESO=C(O)NC1C2CN(c3ccccc3)CC21
InChIInChI=1S/C12H14N2O2/c15-12(16)13-11-9-6-14(7-10(9)11)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2,(H,15,16)
InChIKeyDHEMZMVAOPTHAQ-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
CID 69184763
1-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone
CID 126559698
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
ethyl 3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 89462859
ethyl (1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 153306997
[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone
CID 1481130
ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate
CID 112543896
(1R,5S)-N'-hydroxy-3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboximidamide
CID 153307095
(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid
CID 162471093
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
(4S)-1-phenylimidazolidine-4-carboxylic acid
CID 166481932
formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane
CID 142422477

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid?
The IUPAC name of (3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid (CID 69232733) is (3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid.
What is the SMILES notation for (3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid?
The canonical SMILES for (3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid is O=C(O)NC1C2CN(c3ccccc3)CC21.
What is the InChIKey of (3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid?
The InChIKey is DHEMZMVAOPTHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12(16)13-11-9-6-14(7-10(9)11)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2,(H,15,16).
What are the key properties of (3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid?
(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid has a molecular weight of 218.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid is sourced from PubChem (CID 69232733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).