2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide

C11H14N2O2 — CID 83882758

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc2c(c1)CCCO2)=N\O
InChIInChI=1S/C11H14N2O2/c12-11(13-14)7-8-3-4-10-9(6-8)2-1-5-15-10/h3-4,6,14H,1-2,5,7H2,(H2,12,13)
InChIKeyCUXGDQTYIXPUSB-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.30
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide

2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide (PubChem CID 83882758) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide
PubChem CID83882758
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc2c(c1)CCCO2)=N\O
InChIInChI=1S/C11H14N2O2/c12-11(13-14)7-8-3-4-10-9(6-8)2-1-5-15-10/h3-4,6,14H,1-2,5,7H2,(H2,12,13)
InChIKeyCUXGDQTYIXPUSB-UHFFFAOYSA-N
XLogP1.30
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide
CID 77069714
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
CID 117291912
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
CID 115191993
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
[1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropyl]methanol
CID 116928892
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide (CID 83882758) is 2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide is N/C(Cc1ccc2c(c1)CCCO2)=N\O.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide?
The InChIKey is CUXGDQTYIXPUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-11(13-14)7-8-3-4-10-9(6-8)2-1-5-15-10/h3-4,6,14H,1-2,5,7H2,(H2,12,13).
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide?
2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide has a molecular weight of 206.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 83882758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).