azane;1,2-xylene;hydrate

C8H15NO — CID 158522930

IUPACazane;1,2-xylene;hydrate
SMILESCc1ccccc1C.N.O
InChIInChI=1S/C8H10.H3N.H2O/c1-7-5-3-4-6-8(7)2;;/h3-6H,1-2H3;1H3;1H2
InChIKeyVSVIRJYTOQMTER-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.64
Rot. Bonds

About azane;1,2-xylene;hydrate

azane;1,2-xylene;hydrate (PubChem CID 158522930) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is azane;1,2-xylene;hydrate.

Molecular Properties

Compound Nameazane;1,2-xylene;hydrate
PubChem CID158522930
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameazane;1,2-xylene;hydrate
SMILESCc1ccccc1C.N.O
InChIInChI=1S/C8H10.H3N.H2O/c1-7-5-3-4-6-8(7)2;;/h3-6H,1-2H3;1H3;1H2
InChIKeyVSVIRJYTOQMTER-UHFFFAOYSA-N
XLogP1.64
TPSA66.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1,2-xylene
CID 174280305
CID 174747854
CID 174747854
1,2-xylene
CID 173422016
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
CID 175460731
CID 175460731
acetylene;1,2-xylene
CID 175515922
ethane;1,2-xylene;dihydrochloride
CID 174677530

Frequently Asked Questions

What is the IUPAC name of azane;1,2-xylene;hydrate?
The IUPAC name of azane;1,2-xylene;hydrate (CID 158522930) is azane;1,2-xylene;hydrate.
What is the SMILES notation for azane;1,2-xylene;hydrate?
The canonical SMILES for azane;1,2-xylene;hydrate is Cc1ccccc1C.N.O.
What is the InChIKey of azane;1,2-xylene;hydrate?
The InChIKey is VSVIRJYTOQMTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.H3N.H2O/c1-7-5-3-4-6-8(7)2;;/h3-6H,1-2H3;1H3;1H2.
What are the key properties of azane;1,2-xylene;hydrate?
azane;1,2-xylene;hydrate has a molecular weight of 141.21 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,2-xylene;hydrate is sourced from PubChem (CID 158522930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).