N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine

C14H14N2O2 — CID 78146363

IUPACN-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C(C)=NO)c2cccccc1-2
InChIInChI=1S/C14H14N2O2/c1-9(15-17)13-8-14(10(2)16-18)12-7-5-3-4-6-11(12)13/h3-8,17-18H,1-2H3
InChIKeyAIUOUPSTDGMTBT-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.19
Rot. Bonds2

About N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine

N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine (PubChem CID 78146363) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine
PubChem CID78146363
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C(C)=NO)c2cccccc1-2
InChIInChI=1S/C14H14N2O2/c1-9(15-17)13-8-14(10(2)16-18)12-7-5-3-4-6-11(12)13/h3-8,17-18H,1-2H3
InChIKeyAIUOUPSTDGMTBT-UHFFFAOYSA-N
XLogP3.19
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
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 N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine (CID 78146363) is N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine is CC(=NO)c1cc(C(C)=NO)c2cccccc1-2.
What is the InChIKey of N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine?
The InChIKey is AIUOUPSTDGMTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9(15-17)13-8-14(10(2)16-18)12-7-5-3-4-6-11(12)13/h3-8,17-18H,1-2H3.
What are the key properties of N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine?
N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine has a molecular weight of 242.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(N-hydroxy-C-methylcarbonimidoyl)azulen-1-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 78146363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).