(NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine

C10H16ClNO — CID 14657545

IUPAC(NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
SMILESCC1(C)[C@@H]2C/C(=N\O)[C@@](C)(Cl)C[C@@H]21
InChIInChI=1S/C10H16ClNO/c1-9(2)6-4-8(12-13)10(3,11)5-7(6)9/h6-7,13H,4-5H2,1-3H3/b12-8+/t6-,7+,10+/m1/s1
InChIKeyZLBRJYIAHHOWDY-TUXQASCJSA-N
MW201.70 g/mol
LogP2.88
Rot. Bonds

About (NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine

(NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine (PubChem CID 14657545) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is (NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
PubChem CID14657545
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name(NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
SMILESCC1(C)[C@@H]2C/C(=N\O)[C@@](C)(Cl)C[C@@H]21
InChIInChI=1S/C10H16ClNO/c1-9(2)6-4-8(12-13)10(3,11)5-7(6)9/h6-7,13H,4-5H2,1-3H3/b12-8+/t6-,7+,10+/m1/s1
InChIKeyZLBRJYIAHHOWDY-TUXQASCJSA-N
XLogP2.88
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine with MolForge

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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
(NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
CID 100819970
(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
(1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane
CID 23273214
4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one
CID 86146285
(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
CID 23268227
(1S,2R,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 23268112
(1R,2R,3E,5R)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 139206266
(1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 14570352
N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
CID 6708629
(1R,3R,4Z,6R)-N,N,3,7,7-pentamethyl-4-prop-2-enoxyiminobicyclo[4.1.0]heptan-3-amine
CID 7232083

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine (CID 14657545) is (NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine is CC1(C)[C@@H]2C/C(=N\O)[C@@](C)(Cl)C[C@@H]21.
What is the InChIKey of (NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine?
The InChIKey is ZLBRJYIAHHOWDY-TUXQASCJSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-9(2)6-4-8(12-13)10(3,11)5-7(6)9/h6-7,13H,4-5H2,1-3H3/b12-8+/t6-,7+,10+/m1/s1.
What are the key properties of (NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine?
(NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine has a molecular weight of 201.70 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine is sourced from PubChem (CID 14657545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).