N-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine

C14H14N2O2 — CID 87477257

IUPACN-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine
SMILESON=C1CC=CC=C1C=CC1=CC=CCC1=NO
InChIInChI=1S/C14H14N2O2/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16-18/h1-6,9-10,17-18H,7-8H2
InChIKeyIOLQDYYURIAICI-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.98
Rot. Bonds2

About N-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine

N-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine (PubChem CID 87477257) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine
PubChem CID87477257
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine
SMILESON=C1CC=CC=C1C=CC1=CC=CCC1=NO
InChIInChI=1S/C14H14N2O2/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16-18/h1-6,9-10,17-18H,7-8H2
InChIKeyIOLQDYYURIAICI-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine?
The IUPAC name of N-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine (CID 87477257) is N-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine?
The canonical SMILES for N-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine is ON=C1CC=CC=C1C=CC1=CC=CCC1=NO.
What is the InChIKey of N-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine?
The InChIKey is IOLQDYYURIAICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16-18/h1-6,9-10,17-18H,7-8H2.
What are the key properties of N-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine?
N-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine has a molecular weight of 242.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6-hydroxyiminocyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-2,4-dien-1-ylidene]hydroxylamine is sourced from PubChem (CID 87477257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).