2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide

C12H13ClN2O — CID 14819337

IUPAC2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide
SMILESN/C(CC1=C(Cl)c2ccccc2CC1)=N\O
InChIInChI=1S/C12H13ClN2O/c13-12-9(7-11(14)15-16)6-5-8-3-1-2-4-10(8)12/h1-4,16H,5-7H2,(H2,14,15)
InChIKeySTAYGXMSPYCHEC-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.72
Rot. Bonds2

About 2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide

2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide (PubChem CID 14819337) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide
PubChem CID14819337
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide
SMILESN/C(CC1=C(Cl)c2ccccc2CC1)=N\O
InChIInChI=1S/C12H13ClN2O/c13-12-9(7-11(14)15-16)6-5-8-3-1-2-4-10(8)12/h1-4,16H,5-7H2,(H2,14,15)
InChIKeySTAYGXMSPYCHEC-UHFFFAOYSA-N
XLogP2.72
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide (CID 14819337) is 2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide is N/C(CC1=C(Cl)c2ccccc2CC1)=N\O.
What is the InChIKey of 2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide?
The InChIKey is STAYGXMSPYCHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-12-9(7-11(14)15-16)6-5-8-3-1-2-4-10(8)12/h1-4,16H,5-7H2,(H2,14,15).
What are the key properties of 2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide?
2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide has a molecular weight of 236.70 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-3,4-dihydronaphthalen-2-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 14819337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).