(NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine

C10H17NO5 — CID 5465581

IUPAC(NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine
SMILESCOC1OC(C)/C(=N/O)C2OC(C)(C)OC12
InChIInChI=1S/C10H17NO5/c1-5-6(11-12)7-8(9(13-4)14-5)16-10(2,3)15-7/h5,7-9,12H,1-4H3/b11-6-
InChIKeyPJOWXLWKPHORPK-WDZFZDKYSA-N
MW231.25 g/mol
LogP0.73
Rot. Bonds1

About (NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine

(NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine (PubChem CID 5465581) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine
PubChem CID5465581
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine
SMILESCOC1OC(C)/C(=N/O)C2OC(C)(C)OC12
InChIInChI=1S/C10H17NO5/c1-5-6(11-12)7-8(9(13-4)14-5)16-10(2,3)15-7/h5,7-9,12H,1-4H3/b11-6-
InChIKeyPJOWXLWKPHORPK-WDZFZDKYSA-N
XLogP0.73
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze (NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine (CID 5465581) is (NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine is COC1OC(C)/C(=N/O)C2OC(C)(C)OC12.
What is the InChIKey of (NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine?
The InChIKey is PJOWXLWKPHORPK-WDZFZDKYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-5-6(11-12)7-8(9(13-4)14-5)16-10(2,3)15-7/h5,7-9,12H,1-4H3/b11-6-.
What are the key properties of (NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine?
(NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine has a molecular weight of 231.25 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene)hydroxylamine is sourced from PubChem (CID 5465581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).