(NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine

C10H10N2O2 — CID 98298764

IUPAC(NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine
SMILESO/N=C1/C=C[C@H]2[C@H]1[C@@H]1C=C[C@@H]2/C1=N/O
InChIInChI=1S/C10H10N2O2/c13-11-8-4-3-5-6-1-2-7(9(5)8)10(6)12-14/h1-7,9,13-14H/b11-8-,12-10-/t5-,6+,7+,9+/m1/s1
InChIKeyBSQWDHCYZFISEV-JYFQIALRSA-N
MW190.20 g/mol
LogP1.26
Rot. Bonds

About (NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine

(NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine (PubChem CID 98298764) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine
PubChem CID98298764
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine
SMILESO/N=C1/C=C[C@H]2[C@H]1[C@@H]1C=C[C@@H]2/C1=N/O
InChIInChI=1S/C10H10N2O2/c13-11-8-4-3-5-6-1-2-7(9(5)8)10(6)12-14/h1-7,9,13-14H/b11-8-,12-10-/t5-,6+,7+,9+/m1/s1
InChIKeyBSQWDHCYZFISEV-JYFQIALRSA-N
XLogP1.26
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine (CID 98298764) is (NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine is O/N=C1/C=C[C@H]2[C@H]1[C@@H]1C=C[C@@H]2/C1=N/O.
What is the InChIKey of (NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine?
The InChIKey is BSQWDHCYZFISEV-JYFQIALRSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-11-8-4-3-5-6-1-2-7(9(5)8)10(6)12-14/h1-7,9,13-14H/b11-8-,12-10-/t5-,6+,7+,9+/m1/s1.
What are the key properties of (NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine?
(NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine has a molecular weight of 190.20 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1S,2R,5Z,6S,7S)-5-hydroxyimino-10-tricyclo[5.2.1.02,6]deca-3,8-dienylidene]hydroxylamine is sourced from PubChem (CID 98298764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).