(NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine

C15H21NO3 — CID 177483571

IUPAC(NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine
SMILESCCC[C@@H]1C[C@@H](c2ccc(OC)cc2)/C(=N/O)CO1
InChIInChI=1S/C15H21NO3/c1-3-4-13-9-14(15(16-17)10-19-13)11-5-7-12(18-2)8-6-11/h5-8,13-14,17H,3-4,9-10H2,1-2H3/b16-15+/t13-,14+/m1/s1
InChIKeyUWVUBSOJPBACFX-PMLWWNAGSA-N
MW263.34 g/mol
LogP3.20
Rot. Bonds4

About (NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine

(NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine (PubChem CID 177483571) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine
PubChem CID177483571
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine
SMILESCCC[C@@H]1C[C@@H](c2ccc(OC)cc2)/C(=N/O)CO1
InChIInChI=1S/C15H21NO3/c1-3-4-13-9-14(15(16-17)10-19-13)11-5-7-12(18-2)8-6-11/h5-8,13-14,17H,3-4,9-10H2,1-2H3/b16-15+/t13-,14+/m1/s1
InChIKeyUWVUBSOJPBACFX-PMLWWNAGSA-N
XLogP3.20
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine (CID 177483571) is (NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine is CCC[C@@H]1C[C@@H](c2ccc(OC)cc2)/C(=N/O)CO1.
What is the InChIKey of (NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine?
The InChIKey is UWVUBSOJPBACFX-PMLWWNAGSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-4-13-9-14(15(16-17)10-19-13)11-5-7-12(18-2)8-6-11/h5-8,13-14,17H,3-4,9-10H2,1-2H3/b16-15+/t13-,14+/m1/s1.
What are the key properties of (NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine?
(NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine has a molecular weight of 263.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4S,6R)-4-(4-methoxyphenyl)-6-propyloxan-3-ylidene]hydroxylamine is sourced from PubChem (CID 177483571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).