(NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine

C10H18N2O2 — CID 100819970

IUPAC(NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
SMILESCC1(C)[C@H]2C/C(=N/O)[C@@](C)(NO)C[C@@H]21
InChIInChI=1S/C10H18N2O2/c1-9(2)6-4-8(11-13)10(3,12-14)5-7(6)9/h6-7,12-14H,4-5H2,1-3H3/b11-8-/t6-,7-,10-/m0/s1
InChIKeyPQTBPHBYWMYLHI-XETKFQRFSA-N
MW198.27 g/mol
LogP1.62
Rot. Bonds1

About (NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine

(NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine (PubChem CID 100819970) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
PubChem CID100819970
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
SMILESCC1(C)[C@H]2C/C(=N/O)[C@@](C)(NO)C[C@@H]21
InChIInChI=1S/C10H18N2O2/c1-9(2)6-4-8(11-13)10(3,12-14)5-7(6)9/h6-7,12-14H,4-5H2,1-3H3/b11-8-/t6-,7-,10-/m0/s1
InChIKeyPQTBPHBYWMYLHI-XETKFQRFSA-N
XLogP1.62
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.62
H-Bond Donors ≤ 53
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

(1S,3S,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 125475532
(1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 125475535
(NE)-N-[(1R,4S,6S)-4-[2-[2-[[(1S,3S,4E,6R)-4-hydroxyimino-3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]amino]ethylamino]ethylamino]-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
CID 15519581
(NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
CID 14657545
(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
CID 23268227
methyl (3Z)-3-hydroxyimino-2,2-dimethylcyclobutane-1-carboxylate
CID 118162231
(1S,2R,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 23268112
(1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 14570352
(1R,2R,3E,5R)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 139206266
4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one
CID 86146285
3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 155663554
(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 171591004

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine (CID 100819970) is (NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine is CC1(C)[C@H]2C/C(=N/O)[C@@](C)(NO)C[C@@H]21.
What is the InChIKey of (NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine?
The InChIKey is PQTBPHBYWMYLHI-XETKFQRFSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(2)6-4-8(11-13)10(3,12-14)5-7(6)9/h6-7,12-14H,4-5H2,1-3H3/b11-8-/t6-,7-,10-/m0/s1.
What are the key properties of (NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine?
(NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine has a molecular weight of 198.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine is sourced from PubChem (CID 100819970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).