4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide

C15H16N2O3 — CID 174047812

IUPAC4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide
SMILESNC(=NO)c1ccc(C2OCCCO2)c2ccccc12
InChIInChI=1S/C15H16N2O3/c16-14(17-18)12-6-7-13(15-19-8-3-9-20-15)11-5-2-1-4-10(11)12/h1-2,4-7,15,18H,3,8-9H2,(H2,16,17)
InChIKeyLSNCPSIIMRHQOJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.37
Rot. Bonds2

About 4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide

4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide (PubChem CID 174047812) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide.

Molecular Properties

Compound Name4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide
PubChem CID174047812
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide
SMILESNC(=NO)c1ccc(C2OCCCO2)c2ccccc12
InChIInChI=1S/C15H16N2O3/c16-14(17-18)12-6-7-13(15-19-8-3-9-20-15)11-5-2-1-4-10(11)12/h1-2,4-7,15,18H,3,8-9H2,(H2,16,17)
InChIKeyLSNCPSIIMRHQOJ-UHFFFAOYSA-N
XLogP2.37
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide?
The IUPAC name of 4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide (CID 174047812) is 4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide.
What is the SMILES notation for 4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide?
The canonical SMILES for 4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide is NC(=NO)c1ccc(C2OCCCO2)c2ccccc12.
What is the InChIKey of 4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide?
The InChIKey is LSNCPSIIMRHQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-14(17-18)12-6-7-13(15-19-8-3-9-20-15)11-5-2-1-4-10(11)12/h1-2,4-7,15,18H,3,8-9H2,(H2,16,17).
What are the key properties of 4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide?
4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide has a molecular weight of 272.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxan-2-yl)-N'-hydroxynaphthalene-1-carboximidamide is sourced from PubChem (CID 174047812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).