N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine

C8H12N2O2 — CID 54285911

IUPACN-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine
SMILESCN(O)c1noc2c1CCCC2
InChIInChI=1S/C8H12N2O2/c1-10(11)8-6-4-2-3-5-7(6)12-9-8/h11H,2-5H2,1H3
InChIKeyRUCBYYYUZBNZJO-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.38
Rot. Bonds1

About N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine

N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine (PubChem CID 54285911) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine
PubChem CID54285911
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine
SMILESCN(O)c1noc2c1CCCC2
InChIInChI=1S/C8H12N2O2/c1-10(11)8-6-4-2-3-5-7(6)12-9-8/h11H,2-5H2,1H3
InChIKeyRUCBYYYUZBNZJO-UHFFFAOYSA-N
XLogP1.38
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine?
The IUPAC name of N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine (CID 54285911) is N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine.
What is the SMILES notation for N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine?
The canonical SMILES for N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine is CN(O)c1noc2c1CCCC2.
What is the InChIKey of N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine?
The InChIKey is RUCBYYYUZBNZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10(11)8-6-4-2-3-5-7(6)12-9-8/h11H,2-5H2,1H3.
What are the key properties of N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine?
N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine has a molecular weight of 168.20 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)hydroxylamine is sourced from PubChem (CID 54285911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).