5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one

C12H11N3O — CID 169461900

IUPAC5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one
SMILES[N-]=[N+]=NCC=Cc1ccc2c(c1)CCC2=O
InChIInChI=1S/C12H11N3O/c13-15-14-7-1-2-9-3-5-11-10(8-9)4-6-12(11)16/h1-3,5,8H,4,6-7H2
InChIKeyYZTYJPPGTFYMPF-UHFFFAOYSA-N
MW213.24 g/mol
LogP3.14
Rot. Bonds3

About 5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one

5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one (PubChem CID 169461900) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one
PubChem CID169461900
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one
SMILES[N-]=[N+]=NCC=Cc1ccc2c(c1)CCC2=O
InChIInChI=1S/C12H11N3O/c13-15-14-7-1-2-9-3-5-11-10(8-9)4-6-12(11)16/h1-3,5,8H,4,6-7H2
InChIKeyYZTYJPPGTFYMPF-UHFFFAOYSA-N
XLogP3.14
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 53.14
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

5-(3-azidoprop-1-enyl)-3H-2-benzofuran-1-one
CID 169461898
5-(3-azidoprop-1-enyl)isoindole-1,3-dione
CID 169462453
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
1-[3-(3-azidoprop-1-enyl)phenyl]pyrrolidine
CID 169462444
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene
CID 169461583
6-(4-azidobut-1-enyl)-1H-indole-2,3-dione
CID 170486018
6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one
CID 170476722
5-(3-azidoprop-1-enyl)-1-benzofuran
CID 169461862
5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene
CID 169462599
5-(3-azidoprop-1-enyl)-1H-indole
CID 169461878

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one (CID 169461900) is 5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one is [N-]=[N+]=NCC=Cc1ccc2c(c1)CCC2=O.
What is the InChIKey of 5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one?
The InChIKey is YZTYJPPGTFYMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-15-14-7-1-2-9-3-5-11-10(8-9)4-6-12(11)16/h1-3,5,8H,4,6-7H2.
What are the key properties of 5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one?
5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one has a molecular weight of 213.24 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 169461900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).