N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine

C8H12N2O — CID 112711062

IUPACN-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine
SMILESCNc1noc2c1CCCC2
InChIInChI=1S/C8H12N2O/c1-9-8-6-4-2-3-5-7(6)11-10-8/h2-5H2,1H3,(H,9,10)
InChIKeyRRHOQGUEJLQGQC-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.60
Rot. Bonds1

About N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine

N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine (PubChem CID 112711062) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine
PubChem CID112711062
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine
SMILESCNc1noc2c1CCCC2
InChIInChI=1S/C8H12N2O/c1-9-8-6-4-2-3-5-7(6)11-10-8/h2-5H2,1H3,(H,9,10)
InChIKeyRRHOQGUEJLQGQC-UHFFFAOYSA-N
XLogP1.60
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine?
The IUPAC name of N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine (CID 112711062) is N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine?
The canonical SMILES for N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine is CNc1noc2c1CCCC2.
What is the InChIKey of N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine?
The InChIKey is RRHOQGUEJLQGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-9-8-6-4-2-3-5-7(6)11-10-8/h2-5H2,1H3,(H,9,10).
What are the key properties of N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine?
N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine has a molecular weight of 152.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine is sourced from PubChem (CID 112711062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).