(1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene

C11H13N3O — CID 130277539

IUPAC(1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene
SMILESCCO[C@H]1c2ccccc2CC1N=[N+]=[N-]
InChIInChI=1S/C11H13N3O/c1-2-15-11-9-6-4-3-5-8(9)7-10(11)13-14-12/h3-6,10-11H,2,7H2,1H3/t10?,11-/m0/s1
InChIKeyGHVLBXTYRUPITO-DTIOYNMSSA-N
MW203.24 g/mol
LogP3.00
Rot. Bonds3

About (1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene

(1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene (PubChem CID 130277539) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is (1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene
PubChem CID130277539
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name(1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene
SMILESCCO[C@H]1c2ccccc2CC1N=[N+]=[N-]
InChIInChI=1S/C11H13N3O/c1-2-15-11-9-6-4-3-5-8(9)7-10(11)13-14-12/h3-6,10-11H,2,7H2,1H3/t10?,11-/m0/s1
InChIKeyGHVLBXTYRUPITO-DTIOYNMSSA-N
XLogP3.00
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-2,3-dihydro-1H-inden-1-ol;2-azido-1-ethoxy-2,3-dihydro-1H-indene;1-ethoxy-2,3-dihydro-1H-inden-2-amine
CID 160974065
2-azido-1-hydroperoxy-2,3-dihydro-1H-indene
CID 135064362
1-ethoxy-2,3-dihydro-1H-inden-2-ol
CID 12602279
(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
CID 59880475
(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 101064194
1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 86218961
(2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15637840
tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
CID 137441321
(1R,2R)-1-azido-2-iodo-2,3-dihydro-1H-indene
CID 100942172
ethyl (2R,3R)-2-azido-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 102523607
1,3-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 57311823
(1R)-1-azido-2,3-dihydro-1H-indene
CID 89202215

Frequently Asked Questions

What is the IUPAC name of (1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene?
The IUPAC name of (1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene (CID 130277539) is (1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene?
The canonical SMILES for (1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene is CCO[C@H]1c2ccccc2CC1N=[N+]=[N-].
What is the InChIKey of (1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene?
The InChIKey is GHVLBXTYRUPITO-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-15-11-9-6-4-3-5-8(9)7-10(11)13-14-12/h3-6,10-11H,2,7H2,1H3/t10?,11-/m0/s1.
What are the key properties of (1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene?
(1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene has a molecular weight of 203.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 130277539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).