N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine

C10H15NO — CID 151086895

IUPACN-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESON=C1CCCC2CC=CCC12
InChIInChI=1S/C10H15NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,8-9,12H,3-7H2
InChIKeyMLHIPSDXICOSRE-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.58
Rot. Bonds

About N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine

N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 151086895) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID151086895
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESON=C1CCCC2CC=CCC12
InChIInChI=1S/C10H15NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,8-9,12H,3-7H2
InChIKeyMLHIPSDXICOSRE-UHFFFAOYSA-N
XLogP2.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.58
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

(NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine
CID 98511830
N-(2-cyclohexylcyclohexylidene)hydroxylamine
CID 73167271
(4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one
CID 7188299
2-cyclopent-3-en-1-ylcyclopentan-1-one
CID 130031088
4,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene
CID 123938044
(NE)-N-(2-methoxycycloundecylidene)hydroxylamine
CID 87909315
4,5,5a,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalene
CID 173020767
N-(2-chlorocyclononylidene)hydroxylamine
CID 139910599
(NZ)-N-(2-azidocyclohexylidene)hydroxylamine
CID 5493203
[(2E)-2-hydroxyiminocyclopentyl]methyl-trimethylazanium
CID 5466661
(NE)-N-[(2S)-2-pyridin-2-ylcyclopentylidene]hydroxylamine
CID 7447533
(NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine
CID 14276473

Frequently Asked Questions

What is the IUPAC name of N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 151086895) is N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine is ON=C1CCCC2CC=CCC12.
What is the InChIKey of N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is MLHIPSDXICOSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,8-9,12H,3-7H2.
What are the key properties of N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine?
N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 165.24 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 151086895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).