azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide

C8H12N2O2 — CID 22413927

IUPACazane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide
SMILESN.NC(=O)CO.c1cc2cc-2c1
InChIInChI=1S/C6H4.C2H5NO2.H3N/c1-2-5-4-6(5)3-1;3-2(5)1-4;/h1-4H;4H,1H2,(H2,3,5);1H3
InChIKeyHKJLLTYIYCQDHP-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.29
Rot. Bonds1

About azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide

azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide (PubChem CID 22413927) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide.

Molecular Properties

Compound Nameazane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide
PubChem CID22413927
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameazane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide
SMILESN.NC(=O)CO.c1cc2cc-2c1
InChIInChI=1S/C6H4.C2H5NO2.H3N/c1-2-5-4-6(5)3-1;3-2(5)1-4;/h1-4H;4H,1H2,(H2,3,5);1H3
InChIKeyHKJLLTYIYCQDHP-UHFFFAOYSA-N
XLogP0.29
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

bicyclo[3.1.0]hexa-1(6),2,4-triene;methanediol
CID 175364747
1,1'-biphenyl;2-hydroxyacetamide
CID 174302760
2-aminoacetic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 118514056
2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 70461893
bicyclo[3.1.0]hexa-1(6),2,4-triene;3-hydroxy-2-methylpropanoic acid
CID 175519098
bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide
CID 174338176
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl propanoate
CID 68972161
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-oxopropanoic acid
CID 174739505
2-aminopentanedioic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene;hydrazine
CID 70434290
2-[4-(3-fluorophenyl)phenyl]acetamide
CID 143262038
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
1,1'-biphenyl;propanamide
CID 155213147

Frequently Asked Questions

What is the IUPAC name of azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide?
The IUPAC name of azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide (CID 22413927) is azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide.
What is the SMILES notation for azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide?
The canonical SMILES for azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide is N.NC(=O)CO.c1cc2cc-2c1.
What is the InChIKey of azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide?
The InChIKey is HKJLLTYIYCQDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C2H5NO2.H3N/c1-2-5-4-6(5)3-1;3-2(5)1-4;/h1-4H;4H,1H2,(H2,3,5);1H3.
What are the key properties of azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide?
azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide has a molecular weight of 168.20 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bicyclo[3.1.0]hexa-1(6),2,4-triene;2-hydroxyacetamide is sourced from PubChem (CID 22413927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).