2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol

C11H12N4O — CID 163450630

IUPAC2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol
SMILES[H]/N=C(\CO)c1cccc2c1CCC2N=[N+]=[N-]
InChIInChI=1S/C11H12N4O/c12-10(6-16)8-2-1-3-9-7(8)4-5-11(9)14-15-13/h1-3,11-12,16H,4-6H2/b12-10+
InChIKeyRKXYXRSNDYDCCQ-ZRDIBKRKSA-N
MW216.24 g/mol
LogP2.34
Rot. Bonds3

About 2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol

2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol (PubChem CID 163450630) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol.

Molecular Properties

Compound Name2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol
PubChem CID163450630
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol
SMILES[H]/N=C(\CO)c1cccc2c1CCC2N=[N+]=[N-]
InChIInChI=1S/C11H12N4O/c12-10(6-16)8-2-1-3-9-7(8)4-5-11(9)14-15-13/h1-3,11-12,16H,4-6H2/b12-10+
InChIKeyRKXYXRSNDYDCCQ-ZRDIBKRKSA-N
XLogP2.34
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azido-4-methyl-2,3-dihydro-1H-indene
CID 59860533
1-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile;4-(2-hydroxyethanimidoyl)-2,3-dihydro-1H-inden-1-ol
CID 158308014
(1R)-1-azido-2,3-dihydro-1H-indene
CID 89202215
(NZ)-N-(2-azidocyclohexylidene)hydroxylamine
CID 5493203
1-azido-2,3-dihydro-1H-indene-5-carbaldehyde
CID 56947687
CID 167645226
CID 167645226
(5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane
CID 18367327
5-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105458622
(1R)-1-azido-6-methoxy-2,3-dihydro-1H-indene
CID 91360016
(1S)-N',1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide
CID 58344597
1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid
CID 105458629
methyl (1R)-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 124673429

Frequently Asked Questions

What is the IUPAC name of 2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol?
The IUPAC name of 2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol (CID 163450630) is 2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol.
What is the SMILES notation for 2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol?
The canonical SMILES for 2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol is [H]/N=C(\CO)c1cccc2c1CCC2N=[N+]=[N-].
What is the InChIKey of 2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol?
The InChIKey is RKXYXRSNDYDCCQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H12N4O/c12-10(6-16)8-2-1-3-9-7(8)4-5-11(9)14-15-13/h1-3,11-12,16H,4-6H2/b12-10+.
What are the key properties of 2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol?
2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol has a molecular weight of 216.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azido-2,3-dihydro-1H-inden-4-yl)-2-iminoethanol is sourced from PubChem (CID 163450630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).