(NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine

C6H9NO2 — CID 24976275

IUPAC(NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine
SMILESO/N=C1/CCCC2OC12
InChIInChI=1S/C6H9NO2/c8-7-4-2-1-3-5-6(4)9-5/h5-6,8H,1-3H2/b7-4-
InChIKeyYOAGJDAAEUOXHX-DAXSKMNVSA-N
MW127.14 g/mol
LogP0.77
Rot. Bonds

About (NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine

(NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine (PubChem CID 24976275) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine
PubChem CID24976275
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine
SMILESO/N=C1/CCCC2OC12
InChIInChI=1S/C6H9NO2/c8-7-4-2-1-3-5-6(4)9-5/h5-6,8H,1-3H2/b7-4-
InChIKeyYOAGJDAAEUOXHX-DAXSKMNVSA-N
XLogP0.77
TPSA45.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Methoxycyclohexan-1-one oxime
CID 21604081
Gqvinghnswasnt-sofgywhqsa-
CID 10820644
(NE)-N-[(2R)-2-methoxycyclohexylidene]hydroxylamine
CID 98617104
1-(Hydroxyimino)-2-methoxycyclohexane
CID 73799246
N-(oxepan-3-ylidene)hydroxylamine
CID 162523800
(NZ)-N-(oxepan-3-ylidene)hydroxylamine
CID 169081970
(NE)-N-[(2S)-2-methoxycyclohexylidene]hydroxylamine
CID 98617106

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine (CID 24976275) is (NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine is O/N=C1/CCCC2OC12.
What is the InChIKey of (NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine?
The InChIKey is YOAGJDAAEUOXHX-DAXSKMNVSA-N. The full InChI is InChI=1S/C6H9NO2/c8-7-4-2-1-3-5-6(4)9-5/h5-6,8H,1-3H2/b7-4-.
What are the key properties of (NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine?
(NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine has a molecular weight of 127.14 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(7-oxabicyclo[4.1.0]heptan-2-ylidene)hydroxylamine is sourced from PubChem (CID 24976275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).