4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol

C6H9NO — CID 167209027

IUPAC4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol
SMILESCC1=C(N)C(O)=C1C
InChIInChI=1S/C6H9NO/c1-3-4(2)6(8)5(3)7/h8H,7H2,1-2H3
InChIKeyUSPXWBNPGJHJOA-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.06
Rot. Bonds

About 4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol

4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol (PubChem CID 167209027) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol.

Molecular Properties

Compound Name4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol
PubChem CID167209027
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol
SMILESCC1=C(N)C(O)=C1C
InChIInChI=1S/C6H9NO/c1-3-4(2)6(8)5(3)7/h8H,7H2,1-2H3
InChIKeyUSPXWBNPGJHJOA-UHFFFAOYSA-N
XLogP1.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol?
The IUPAC name of 4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol (CID 167209027) is 4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol.
What is the SMILES notation for 4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol?
The canonical SMILES for 4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol is CC1=C(N)C(O)=C1C.
What is the InChIKey of 4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol?
The InChIKey is USPXWBNPGJHJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-4(2)6(8)5(3)7/h8H,7H2,1-2H3.
What are the key properties of 4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol?
4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol has a molecular weight of 111.14 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dimethylcyclobuta-1,3-dien-1-ol is sourced from PubChem (CID 167209027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).