[1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol

C11H14N4O — CID 121204198

IUPAC[1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol
SMILES[N-]=[N+]=NCCN1CCc2cc(CO)ccc21
InChIInChI=1S/C11H14N4O/c12-14-13-4-6-15-5-3-10-7-9(8-16)1-2-11(10)15/h1-2,7,16H,3-6,8H2
InChIKeyCFBVKQKLTQLRNO-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.85
Rot. Bonds4

About [1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol

[1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol (PubChem CID 121204198) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol.

Molecular Properties

Compound Name[1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol
PubChem CID121204198
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol
SMILES[N-]=[N+]=NCCN1CCc2cc(CO)ccc21
InChIInChI=1S/C11H14N4O/c12-14-13-4-6-15-5-3-10-7-9(8-16)1-2-11(10)15/h1-2,7,16H,3-6,8H2
InChIKeyCFBVKQKLTQLRNO-UHFFFAOYSA-N
XLogP1.85
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol
CID 115114830
1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole
CID 121202419
2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol
CID 115105893
3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid
CID 121204216
(1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol
CID 121204209
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid
CID 121204232
[3-(4-azidobutylidene)-1,2-dihydroinden-5-yl]methanol
CID 139730360
[3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol
CID 116997114
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805
[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclopropyl]methanol
CID 116997101
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240

Frequently Asked Questions

What is the IUPAC name of [1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol?
The IUPAC name of [1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol (CID 121204198) is [1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol.
What is the SMILES notation for [1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol?
The canonical SMILES for [1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol is [N-]=[N+]=NCCN1CCc2cc(CO)ccc21.
What is the InChIKey of [1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol?
The InChIKey is CFBVKQKLTQLRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-14-13-4-6-15-5-3-10-7-9(8-16)1-2-11(10)15/h1-2,7,16H,3-6,8H2.
What are the key properties of [1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol?
[1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol has a molecular weight of 218.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-azidoethyl)-2,3-dihydroindol-5-yl]methanol is sourced from PubChem (CID 121204198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).