(NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine

C11H12N2O2 — CID 5337700

IUPAC(NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine
SMILESO/N=C1/C2C3CC4C2/C(=N\O)C2C1C3C42
InChIInChI=1S/C11H12N2O2/c14-12-10-6-2-1-3-5-4(2)8(10)9(5)11(13-15)7(3)6/h2-9,14-15H,1H2/b12-10-,13-11+
InChIKeySVFZGSIUSSQSRE-PJABCKPXSA-N
MW204.23 g/mol
LogP1.03
Rot. Bonds

About (NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine

(NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine (PubChem CID 5337700) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine
PubChem CID5337700
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine
SMILESO/N=C1/C2C3CC4C2/C(=N\O)C2C1C3C42
InChIInChI=1S/C11H12N2O2/c14-12-10-6-2-1-3-5-4(2)8(10)9(5)11(13-15)7(3)6/h2-9,14-15H,1H2/b12-10-,13-11+
InChIKeySVFZGSIUSSQSRE-PJABCKPXSA-N
XLogP1.03
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.03
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 (NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine (CID 5337700) is (NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine is O/N=C1/C2C3CC4C2/C(=N\O)C2C1C3C42.
What is the InChIKey of (NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine?
The InChIKey is SVFZGSIUSSQSRE-PJABCKPXSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-12-10-6-2-1-3-5-4(2)8(10)9(5)11(13-15)7(3)6/h2-9,14-15H,1H2/b12-10-,13-11+.
What are the key properties of (NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine?
(NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine has a molecular weight of 204.23 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine is sourced from PubChem (CID 5337700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).