1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine

C10H10N2O — CID 105435769

IUPAC1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine
SMILESNC1(c2cccc3conc23)CC1
InChIInChI=1S/C10H10N2O/c11-10(4-5-10)8-3-1-2-7-6-13-12-9(7)8/h1-3,6H,4-5,11H2
InChIKeyWJHBAVUWBZMUEN-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.78
Rot. Bonds1

About 1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine

1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine (PubChem CID 105435769) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine
PubChem CID105435769
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine
SMILESNC1(c2cccc3conc23)CC1
InChIInChI=1S/C10H10N2O/c11-10(4-5-10)8-3-1-2-7-6-13-12-9(7)8/h1-3,6H,4-5,11H2
InChIKeyWJHBAVUWBZMUEN-UHFFFAOYSA-N
XLogP1.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine?
The IUPAC name of 1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine (CID 105435769) is 1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine is NC1(c2cccc3conc23)CC1.
What is the InChIKey of 1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine?
The InChIKey is WJHBAVUWBZMUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-10(4-5-10)8-3-1-2-7-6-13-12-9(7)8/h1-3,6H,4-5,11H2.
What are the key properties of 1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine?
1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine has a molecular weight of 174.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1-benzoxazol-7-yl)cyclopropan-1-amine is sourced from PubChem (CID 105435769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).