7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide

C17H13N3O2 — CID 154090261

IUPAC7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide
SMILESCc1c(C(=O)N=[N+]=[N-])oc2c(Cc3ccccc3)cccc12
InChIInChI=1S/C17H13N3O2/c1-11-14-9-5-8-13(10-12-6-3-2-4-7-12)16(14)22-15(11)17(21)19-20-18/h2-9H,10H2,1H3
InChIKeyHFNQVEWQLNIWJY-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.78
Rot. Bonds3

About 7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide

7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide (PubChem CID 154090261) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide.

Molecular Properties

Compound Name7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide
PubChem CID154090261
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide
SMILESCc1c(C(=O)N=[N+]=[N-])oc2c(Cc3ccccc3)cccc12
InChIInChI=1S/C17H13N3O2/c1-11-14-9-5-8-13(10-12-6-3-2-4-7-12)16(14)22-15(11)17(21)19-20-18/h2-9H,10H2,1H3
InChIKeyHFNQVEWQLNIWJY-UHFFFAOYSA-N
XLogP4.78
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.78
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

4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran
CID 160947244
8-benzyl-2-phenylchromen-4-one
CID 69123022
azane;1-benzyl-2,3-dimethylbenzene;hydrochloride
CID 174867327
3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide
CID 55996601
(2R)-2-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119244664
3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119504301
1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155106
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
4-benzyl-6-propylnaphtho[2,3-b][1]benzofuran
CID 161473617
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
1-benzylxanthen-9-one
CID 18759523

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide?
The IUPAC name of 7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide (CID 154090261) is 7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide.
What is the SMILES notation for 7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide?
The canonical SMILES for 7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide is Cc1c(C(=O)N=[N+]=[N-])oc2c(Cc3ccccc3)cccc12.
What is the InChIKey of 7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide?
The InChIKey is HFNQVEWQLNIWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-11-14-9-5-8-13(10-12-6-3-2-4-7-12)16(14)22-15(11)17(21)19-20-18/h2-9H,10H2,1H3.
What are the key properties of 7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide?
7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide has a molecular weight of 291.31 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-methyl-1-benzofuran-2-carbonyl azide is sourced from PubChem (CID 154090261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).