O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine

C7H12N2O — CID 163541239

IUPACO-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine
SMILESCNC1=CC=C(ON)CC1
InChIInChI=1S/C7H12N2O/c1-9-6-2-4-7(10-8)5-3-6/h2,4,9H,3,5,8H2,1H3
InChIKeyFBGHBESIQBTPDT-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.66
Rot. Bonds2

About O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine

O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine (PubChem CID 163541239) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine.

Molecular Properties

Compound NameO-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine
PubChem CID163541239
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameO-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine
SMILESCNC1=CC=C(ON)CC1
InChIInChI=1S/C7H12N2O/c1-9-6-2-4-7(10-8)5-3-6/h2,4,9H,3,5,8H2,1H3
InChIKeyFBGHBESIQBTPDT-UHFFFAOYSA-N
XLogP0.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.66
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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Frequently Asked Questions

What is the IUPAC name of O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine?
The IUPAC name of O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine (CID 163541239) is O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine.
What is the SMILES notation for O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine?
The canonical SMILES for O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine is CNC1=CC=C(ON)CC1.
What is the InChIKey of O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine?
The InChIKey is FBGHBESIQBTPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-6-2-4-7(10-8)5-3-6/h2,4,9H,3,5,8H2,1H3.
What are the key properties of O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine?
O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine has a molecular weight of 140.19 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[4-(methylamino)cyclohexa-1,3-dien-1-yl]hydroxylamine is sourced from PubChem (CID 163541239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).