(NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine

C11H17NO — CID 162416980

IUPAC(NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESC[C@H]1C/C(=N/O)[C@@H]2CC=CC[C@@H]2C1
InChIInChI=1S/C11H17NO/c1-8-6-9-4-2-3-5-10(9)11(7-8)12-13/h2-3,8-10,13H,4-7H2,1H3/b12-11-/t8-,9-,10-/m1/s1
InChIKeyITFSZLPBPRNTQV-YUKQGTDISA-N
MW179.26 g/mol
LogP2.83
Rot. Bonds

About (NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine

(NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 162416980) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID162416980
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESC[C@H]1C/C(=N/O)[C@@H]2CC=CC[C@@H]2C1
InChIInChI=1S/C11H17NO/c1-8-6-9-4-2-3-5-10(9)11(7-8)12-13/h2-3,8-10,13H,4-7H2,1H3/b12-11-/t8-,9-,10-/m1/s1
InChIKeyITFSZLPBPRNTQV-YUKQGTDISA-N
XLogP2.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

2-(1-Cyclohexenyl)cyclohexanone oxime
CID 6104731
(NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine
CID 5382663
(NE)-N-(1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene)hydroxylamine
CID 6392683
(NE)-N-[(E)-8-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-6-methyloct-5-en-2-ylidene]hydroxylamine
CID 9590646
1-(Azaethylidene)-2-(hydroxyimino)-5,6,7,8,4a,8a-hexahydronaphthalene
CID 135700406
7-Methylbicyclo[3.3.1]non-6-en-3-one oxime
CID 564492
N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide
CID 5375227
Bicyclo[3.3.1]non-6-en-2-one oxime
CID 9603234
N-[2-(cyclohexen-1-yl)cyclohexylidene]hydroxylamine
CID 592125
(Z)-[1,1'-bi(cyclohexan)]-1'-en-2-one oxime
CID 5373258
N-[4-[(Z)-but-2-enyl]cyclohexylidene]hydroxylamine
CID 57626704
(NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine
CID 58587062

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 162416980) is (NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine is C[C@H]1C/C(=N/O)[C@@H]2CC=CC[C@@H]2C1.
What is the InChIKey of (NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is ITFSZLPBPRNTQV-YUKQGTDISA-N. The full InChI is InChI=1S/C11H17NO/c1-8-6-9-4-2-3-5-10(9)11(7-8)12-13/h2-3,8-10,13H,4-7H2,1H3/b12-11-/t8-,9-,10-/m1/s1.
What are the key properties of (NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 179.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 162416980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).