(NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine

C10H16N2O2 — CID 21157179

IUPAC(NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)C1/C(=N/O)CC2C1C2(C)C
InChIInChI=1S/C10H16N2O2/c1-5(11-13)8-7(12-14)4-6-9(8)10(6,2)3/h6,8-9,13-14H,4H2,1-3H3/b11-5+,12-7+
InChIKeyHZNCCVUDDGMZDN-ZVKMSOOESA-N
MW196.25 g/mol
LogP1.96
Rot. Bonds1

About (NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine

(NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine (PubChem CID 21157179) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine
PubChem CID21157179
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)C1/C(=N/O)CC2C1C2(C)C
InChIInChI=1S/C10H16N2O2/c1-5(11-13)8-7(12-14)4-6-9(8)10(6,2)3/h6,8-9,13-14H,4H2,1-3H3/b11-5+,12-7+
InChIKeyHZNCCVUDDGMZDN-ZVKMSOOESA-N
XLogP1.96
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.96
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-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine (CID 21157179) is (NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine is C/C(=N\O)C1/C(=N/O)CC2C1C2(C)C.
What is the InChIKey of (NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine?
The InChIKey is HZNCCVUDDGMZDN-ZVKMSOOESA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5(11-13)8-7(12-14)4-6-9(8)10(6,2)3/h6,8-9,13-14H,4H2,1-3H3/b11-5+,12-7+.
What are the key properties of (NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine?
(NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine has a molecular weight of 196.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[(3E)-3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethylidene]hydroxylamine is sourced from PubChem (CID 21157179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).