(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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Related Compounds

Camphorquinonedioxime
CID 135462656
3-Thujanone, (+)-, oxime
CID 9588109
N-[(2Z)-5,5,6-Trimethylbicyclo[2.2.1]heptan-2-ylidene]hydroxylamine
CID 5465597
(NZ)-N-[(3Z)-3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 135408614
(NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine
CID 135039118
N-[1-(3-hydroxyimino-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl)ethylidene]hydroxylamine
CID 3243510
5,5,6-Trimethylnorbornan-2-one oxime
CID 6374126
(NZ)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine
CID 20692188
(NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine
CID 59970263
N-[(3S,3aS,7aS)-3a,7,7-trimethyl-3-propan-2-yl-2,3,4,5,6,7a-hexahydroinden-1-ylidene]hydroxylamine
CID 89514504
(NE)-N-[1-[(1S,2S)-2-methyl-2,3-di(propan-2-yl)cyclopentyl]ethylidene]hydroxylamine
CID 90180883
(NE)-N-[1-[(1S)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine
CID 90181854

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).