N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine

C9H11NO2 — CID 135563814

IUPACN-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine
SMILESONC1OCCc2ccccc21
InChIInChI=1S/C9H11NO2/c11-10-9-8-4-2-1-3-7(8)5-6-12-9/h1-4,9-11H,5-6H2
InChIKeyUIYDRAQBYFFVGE-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.24
Rot. Bonds1

About N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine

N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine (PubChem CID 135563814) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine
PubChem CID135563814
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine
SMILESONC1OCCc2ccccc21
InChIInChI=1S/C9H11NO2/c11-10-9-8-4-2-1-3-7(8)5-6-12-9/h1-4,9-11H,5-6H2
InChIKeyUIYDRAQBYFFVGE-UHFFFAOYSA-N
XLogP1.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dihydro-1H-isochromen-1-ylmethyl)amine
CID 209070
1-[2-(Methoxymethyl)phenyl]methanamine
CID 12628891
[2-(Ethoxymethyl)phenyl]methanamine
CID 16792336
3,4-dihydro-1H-2-benzopyran-4-amine hydrochloride
CID 17750402
(3,4-dihydro-1H-2-benzopyran-6-yl)methanamine
CID 82596473
1-(3,4-dihydro-1H-2-benzopyran-7-yl)methanamine
CID 82596474
3,4-dihydro-1H-2,3-benzoxazine
CID 21887239
Isochroman-4-amine
CID 17750403
1-(2-((2-Methoxyethoxy)methyl)phenyl)methanamine
CID 20113385
(3,4-dihydro-1H-2-benzopyran-5-yl)methanamine
CID 82596472
3,4-dihydro-1H-2,3-benzoxazine hydrochloride
CID 119031183
1,2-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 21666470

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine (CID 135563814) is N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine is ONC1OCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine?
The InChIKey is UIYDRAQBYFFVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-10-9-8-4-2-1-3-7(8)5-6-12-9/h1-4,9-11H,5-6H2.
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine?
N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine has a molecular weight of 165.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-yl)hydroxylamine is sourced from PubChem (CID 135563814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).