(NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine

C9H8ClNO — CID 91622608

IUPAC(NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESO/N=C1/CCc2ccc(Cl)cc21
InChIInChI=1S/C9H8ClNO/c10-7-3-1-6-2-4-9(11-12)8(6)5-7/h1,3,5,12H,2,4H2/b11-9-
InChIKeyRAWGXTASQDVIDG-LUAWRHEFSA-N
MW181.62 g/mol
LogP2.46
Rot. Bonds

About (NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine

(NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 91622608) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is (NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID91622608
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name(NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESO/N=C1/CCc2ccc(Cl)cc21
InChIInChI=1S/C9H8ClNO/c10-7-3-1-6-2-4-9(11-12)8(6)5-7/h1,3,5,12H,2,4H2/b11-9-
InChIKeyRAWGXTASQDVIDG-LUAWRHEFSA-N
XLogP2.46
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.46
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-(4-Chlorophenyl)-1-ethanone oxime
CID 5399157
Ap-18
CID 9584673
(NE)-N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 5858529
2,7-Dichloro-fluoren-9-one oxime
CID 31119
(NZ)-N-[(E)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
CID 5716410
7-chloro-3,4-dihydro-1(2H)-naphthalenone oxime
CID 9657793
(E)-2,3-Dihydro-1H-inden-1-one oxime
CID 5907709
Acetophenone, 4'-chloro-, oxime
CID 5462557
p-Chloroacetophenone oxime
CID 96172
2,3-Dihydro-1H-inden-1-one oxime
CID 302323
4-(4-Chlorophenyl)-3-methylbut-3-en-2-one oxime
CID 2825138
1-Indanone oxime
CID 5383710

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 91622608) is (NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine is O/N=C1/CCc2ccc(Cl)cc21.
What is the InChIKey of (NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is RAWGXTASQDVIDG-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-7-3-1-6-2-4-9(11-12)8(6)5-7/h1,3,5,12H,2,4H2/b11-9-.
What are the key properties of (NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine?
(NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 181.62 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 91622608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).