(NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine

C10H10ClNO — CID 58964413

IUPAC(NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine
SMILESO/N=C/C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C10H10ClNO/c11-9-3-1-8(2-4-9)10(5-6-10)7-12-13/h1-4,7,13H,5-6H2/b12-7+
InChIKeyDAHQFKKWWFMZKH-KPKJPENVSA-N
MW195.65 g/mol
LogP2.83
Rot. Bonds2

About (NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine

(NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine (PubChem CID 58964413) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is (NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine
PubChem CID58964413
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name(NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine
SMILESO/N=C/C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C10H10ClNO/c11-9-3-1-8(2-4-9)10(5-6-10)7-12-13/h1-4,7,13H,5-6H2/b12-7+
InChIKeyDAHQFKKWWFMZKH-KPKJPENVSA-N
XLogP2.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(E)-3-bromo-2-fluoroprop-1-enyl]cyclopropyl]-4-chlorobenzene
CID 70230113
(E)-N-(tert-butyl-hydroxy-methyl-λ4-sulfanyl)-1-[1-(4-chlorophenyl)cyclobutyl]methanimine
CID 59908327
1-(4-chlorophenyl)cyclohexane-1-carbaldehyde
CID 21475899
1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
CID 91148792
3-[(E)-(tert-butyl-hydroxy-methyl-λ4-sulfanyl)iminomethyl]-3-(4-chlorophenyl)cyclobutan-1-ol
CID 59908299
1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
CID 20724884
carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
CID 178127818
1-(1-azidocyclopropyl)-4-chlorobenzene;methane
CID 167664164
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110935474
1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde
CID 105488768
1-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 47002947

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine (CID 58964413) is (NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine is O/N=C/C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine?
The InChIKey is DAHQFKKWWFMZKH-KPKJPENVSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-9-3-1-8(2-4-9)10(5-6-10)7-12-13/h1-4,7,13H,5-6H2/b12-7+.
What are the key properties of (NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine?
(NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine has a molecular weight of 195.65 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[1-(4-chlorophenyl)cyclopropyl]methylidene]hydroxylamine is sourced from PubChem (CID 58964413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).