5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran

C10H11N3O — CID 104853459

IUPAC5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran
SMILESC[C@H](N=[N+]=[N-])c1ccc2c(c1)CCO2
InChIInChI=1S/C10H11N3O/c1-7(12-13-11)8-2-3-10-9(6-8)4-5-14-10/h2-3,6-7H,4-5H2,1H3/t7-/m0/s1
InChIKeyOKQPQVCOOWYMHM-ZETCQYMHSA-N
MW189.22 g/mol
LogP2.99
Rot. Bonds2

About 5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran

5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran (PubChem CID 104853459) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran
PubChem CID104853459
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran
SMILESC[C@H](N=[N+]=[N-])c1ccc2c(c1)CCO2
InChIInChI=1S/C10H11N3O/c1-7(12-13-11)8-2-3-10-9(6-8)4-5-14-10/h2-3,6-7H,4-5H2,1H3/t7-/m0/s1
InChIKeyOKQPQVCOOWYMHM-ZETCQYMHSA-N
XLogP2.99
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.99
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'}

Analyze 5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
4-azido-1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 171879616
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
CID 171202505
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533
1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948140

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran (CID 104853459) is 5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran is C[C@H](N=[N+]=[N-])c1ccc2c(c1)CCO2.
What is the InChIKey of 5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is OKQPQVCOOWYMHM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7(12-13-11)8-2-3-10-9(6-8)4-5-14-10/h2-3,6-7H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of 5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran?
5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 189.22 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-azidoethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104853459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).