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

C31H37N7O3 — CID 160974065

IUPAC2-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
SMILESCCOC1c2ccccc2CC1N.CCOC1c2ccccc2CC1N=[N+]=[N-].[N-]=[N+]=NC1Cc2ccccc2C1O
InChIInChI=1S/C11H13N3O.C11H15NO.C9H9N3O/c1-2-15-11-9-6-4-3-5-8(9)7-10(11)13-14-12;1-2-13-11-9-6-4-3-5-8(9)7-10(11)12;10-12-11-8-5-6-3-1-2-4-7(6)9(8)13/h3-6,10-11H,2,7H2,1H3;3-6,10-11H,2,7,12H2,1H3;1-4,8-9,13H,5H2
InChIKeySYQAZDWIRQDYQP-UHFFFAOYSA-N
MW555.68 g/mol
LogP6.60
Rot. Bonds6

About 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

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 (PubChem CID 160974065) has the molecular formula C31H37N7O3 and a molecular weight of 555.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID160974065
Molecular FormulaC31H37N7O3
Molecular Weight555.68 g/mol
Exact Mass555.30
IUPAC Name2-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
SMILESCCOC1c2ccccc2CC1N.CCOC1c2ccccc2CC1N=[N+]=[N-].[N-]=[N+]=NC1Cc2ccccc2C1O
InChIInChI=1S/C11H13N3O.C11H15NO.C9H9N3O/c1-2-15-11-9-6-4-3-5-8(9)7-10(11)13-14-12;1-2-13-11-9-6-4-3-5-8(9)7-10(11)12;10-12-11-8-5-6-3-1-2-4-7(6)9(8)13/h3-6,10-11H,2,7H2,1H3;3-6,10-11H,2,7,12H2,1H3;1-4,8-9,13H,5H2
InChIKeySYQAZDWIRQDYQP-UHFFFAOYSA-N
XLogP6.60
TPSA162.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 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 with MolForge

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Related Compounds

(1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene
CID 130277539
2-azido-1-hydroperoxy-2,3-dihydro-1H-indene
CID 135064362
1-ethoxy-2,3-dihydro-1H-inden-2-ol
CID 12602279
ethyl (2R,3R)-2-azido-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 102523607
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
CID 59880475
(2R,3R)-3-azido-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15637840
1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 86218961
(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 101064194
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
tert-butyl N-[(2R)-2-azido-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
CID 137441321
2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene
CID 131863320

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC1c2ccccc2CC1N.CCOC1c2ccccc2CC1N=[N+]=[N-].[N-]=[N+]=NC1Cc2ccccc2C1O.
What is the InChIKey of 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?
The InChIKey is SYQAZDWIRQDYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.C11H15NO.C9H9N3O/c1-2-15-11-9-6-4-3-5-8(9)7-10(11)13-14-12;1-2-13-11-9-6-4-3-5-8(9)7-10(11)12;10-12-11-8-5-6-3-1-2-4-7(6)9(8)13/h3-6,10-11H,2,7H2,1H3;3-6,10-11H,2,7,12H2,1H3;1-4,8-9,13H,5H2.
What are the key properties of 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?
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 has a molecular weight of 555.68 g/mol, XLogP of 6.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160974065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).