N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine

C10H16N2O2 — CID 135460880

IUPACN-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine
SMILESON=C1CC2CCCCC2CC1=NO
InChIInChI=1S/C10H16N2O2/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12-14/h7-8,13-14H,1-6H2
InChIKeyRCHRHPOKTAVMAL-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.25
Rot. Bonds

About N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine

N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine (PubChem CID 135460880) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine
PubChem CID135460880
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine
SMILESON=C1CC2CCCCC2CC1=NO
InChIInChI=1S/C10H16N2O2/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12-14/h7-8,13-14H,1-6H2
InChIKeyRCHRHPOKTAVMAL-UHFFFAOYSA-N
XLogP2.25
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine (CID 135460880) is N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine is ON=C1CC2CCCCC2CC1=NO.
What is the InChIKey of N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine?
The InChIKey is RCHRHPOKTAVMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12-14/h7-8,13-14H,1-6H2.
What are the key properties of N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine?
N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine has a molecular weight of 196.25 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyimino-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-ylidene)hydroxylamine is sourced from PubChem (CID 135460880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).