N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine

C11H12BrNO — CID 175174429

IUPACN-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine
SMILESON=CC1CCCc2ccc(Br)cc21
InChIInChI=1S/C11H12BrNO/c12-10-5-4-8-2-1-3-9(7-13-14)11(8)6-10/h4-7,9,14H,1-3H2
InChIKeyFWUUEJYHSMKLMN-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.33
Rot. Bonds1

About N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine

N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine (PubChem CID 175174429) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine
PubChem CID175174429
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC NameN-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine
SMILESON=CC1CCCc2ccc(Br)cc21
InChIInChI=1S/C11H12BrNO/c12-10-5-4-8-2-1-3-9(7-13-14)11(8)6-10/h4-7,9,14H,1-3H2
InChIKeyFWUUEJYHSMKLMN-UHFFFAOYSA-N
XLogP3.33
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.33
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

N-[(7-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine
CID 174750219
N-[(6-ethenyl-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine
CID 174657798
6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde
CID 134939038
7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene
CID 82380696
(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103894761
(1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 67280135
6-bromo-1-nitroso-2,3-dihydro-1H-indene
CID 90991723
2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol
CID 167937954
(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 97158290
(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765
6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 18469942
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine (CID 175174429) is N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine is ON=CC1CCCc2ccc(Br)cc21.
What is the InChIKey of N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine?
The InChIKey is FWUUEJYHSMKLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-5-4-8-2-1-3-9(7-13-14)11(8)6-10/h4-7,9,14H,1-3H2.
What are the key properties of N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine?
N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine has a molecular weight of 254.13 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 175174429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).