(NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine

C10H19NO — CID 135039118

IUPAC(NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)[C@H]1CC[C@@H](C)C1(C)C
InChIInChI=1S/C10H19NO/c1-7-5-6-9(8(2)11-12)10(7,3)4/h7,9,12H,5-6H2,1-4H3/b11-8+/t7-,9-/m1/s1
InChIKeyGVSRHZKELPPBTK-DTQAVVEUSA-N
MW169.27 g/mol
LogP2.91
Rot. Bonds1

About (NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine

(NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine (PubChem CID 135039118) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine
PubChem CID135039118
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)[C@H]1CC[C@@H](C)C1(C)C
InChIInChI=1S/C10H19NO/c1-7-5-6-9(8(2)11-12)10(7,3)4/h7,9,12H,5-6H2,1-4H3/b11-8+/t7-,9-/m1/s1
InChIKeyGVSRHZKELPPBTK-DTQAVVEUSA-N
XLogP2.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2E)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one oxime
CID 5908504
(E)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime
CID 5354197
(3E)-2-[(1E)-N-hydroxyethanimidoyl]-6,6-dimethylbicyclo[3.1.0]hexan-3-one oxime
CID 21157179
Camphor, oxime
CID 26110
Camphorquinonedioxime
CID 135462656
(+)-Camphor oxime
CID 7345016
3-Thujanone, (+)-, oxime
CID 9588109
N-[(2Z)-5,5,6-Trimethylbicyclo[2.2.1]heptan-2-ylidene]hydroxylamine
CID 5465597
(NE)-N-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]hydroxylamine
CID 10588775
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one oxime
CID 76039
4-(Tert-butyl)cyclohexanone oxime
CID 223594
(1S,4S)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one oxime
CID 1241309

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine (CID 135039118) is (NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine is C/C(=N\O)[C@H]1CC[C@@H](C)C1(C)C.
What is the InChIKey of (NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine?
The InChIKey is GVSRHZKELPPBTK-DTQAVVEUSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-5-6-9(8(2)11-12)10(7,3)4/h7,9,12H,5-6H2,1-4H3/b11-8+/t7-,9-/m1/s1.
What are the key properties of (NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine?
(NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine has a molecular weight of 169.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[(1S,3R)-2,2,3-trimethylcyclopentyl]ethylidene]hydroxylamine is sourced from PubChem (CID 135039118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).