2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide

C11H14N2O — CID 15744568

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide
SMILESN/C(CC1CCc2ccccc21)=N\O
InChIInChI=1S/C11H14N2O/c12-11(13-14)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9,14H,5-7H2,(H2,12,13)
InChIKeyBKOAMIJKWDIZEN-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.85
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide

2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide (PubChem CID 15744568) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide
PubChem CID15744568
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide
SMILESN/C(CC1CCc2ccccc21)=N\O
InChIInChI=1S/C11H14N2O/c12-11(13-14)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9,14H,5-7H2,(H2,12,13)
InChIKeyBKOAMIJKWDIZEN-UHFFFAOYSA-N
XLogP1.85
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.85
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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Related Compounds

2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate
CID 21310563
1-ethyl-2,3-dihydro-1H-indene
CID 20971
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
[(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate
CID 129405873
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
1-cyclopentyl-2-(2,3-dihydro-1H-inden-1-ylmethyl)guanidine;hydroiodide
CID 119147501
N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide
CID 77041361
N-[(3-chlorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955231
1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene
CID 147654820
N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide
CID 77028408
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-phenylcyclobutyl)acetamide
CID 86955408
N-benzhydryloxy-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 57188688

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide (CID 15744568) is 2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide is N/C(CC1CCc2ccccc21)=N\O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide?
The InChIKey is BKOAMIJKWDIZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-11(13-14)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9,14H,5-7H2,(H2,12,13).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide?
2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide has a molecular weight of 190.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 15744568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).