N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine

C14H18N2O2 — CID 135521883

IUPACN-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine
SMILESCCC(=NO)C(=NO)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H18N2O2/c1-2-13(15-17)14(16-18)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,17-18H,2-6H2,1H3
InChIKeyIASHQMMTVLHSGK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.98
Rot. Bonds3

About N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine

N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine (PubChem CID 135521883) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine
PubChem CID135521883
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine
SMILESCCC(=NO)C(=NO)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H18N2O2/c1-2-13(15-17)14(16-18)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,17-18H,2-6H2,1H3
InChIKeyIASHQMMTVLHSGK-UHFFFAOYSA-N
XLogP2.98
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.98
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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Related Compounds

N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine
CID 135541210
3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 114873964
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 72605566
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 62679922
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922813
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-ol
CID 15468364
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-amine
CID 82504394
methyl N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboximidothioate
CID 116827968
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 43160270
2-methyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 70167994

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine (CID 135521883) is N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine is CCC(=NO)C(=NO)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine?
The InChIKey is IASHQMMTVLHSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-13(15-17)14(16-18)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,17-18H,2-6H2,1H3.
What are the key properties of N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine?
N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine has a molecular weight of 246.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxyimino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135521883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).