5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide

C12H15N5O — CID 54250050

IUPAC5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide
SMILESCC(Cc1cc2c(c(C(N)=O)c1)NCC2)N=[N+]=[N-]
InChIInChI=1S/C12H15N5O/c1-7(16-17-14)4-8-5-9-2-3-15-11(9)10(6-8)12(13)18/h5-7,15H,2-4H2,1H3,(H2,13,18)
InChIKeyQWCUYVPBMLTTPS-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.99
Rot. Bonds4

About 5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide

5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide (PubChem CID 54250050) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide
PubChem CID54250050
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide
SMILESCC(Cc1cc2c(c(C(N)=O)c1)NCC2)N=[N+]=[N-]
InChIInChI=1S/C12H15N5O/c1-7(16-17-14)4-8-5-9-2-3-15-11(9)10(6-8)12(13)18/h5-7,15H,2-4H2,1H3,(H2,13,18)
InChIKeyQWCUYVPBMLTTPS-UHFFFAOYSA-N
XLogP1.99
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione
CID 38296
5-ethyl-2,3-dihydro-1H-indole-2,3-dione
CID 583487
2-Oxidanylidene-N-Piperidin-4-Yl-1,3-Dihydroindole-5-Carboxamide
CID 83551529
2,3-dihydro-1H-indol-7-yl(phenyl)methanone
CID 2741892
1-(2,3-Dihydro-1H-indol-5-yl)ethan-1-one
CID 253117
Benzamide, o-(isopropylamino)-
CID 79323
Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro-
CID 206810
Indoline-7-carboxaldehyde
CID 1481333
N-(5,7-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2952472
(1,2,3,4,5,6-14C6)cyclohexatrienyl(2,3-dihydro-1H-indol-7-yl)methanone
CID 90673791
Methanone, (2,3-dihydro-1H-indol-7-yl)(4-fluorophenyl)-
CID 800771
5-Butylisatin
CID 3082129

Frequently Asked Questions

What is the IUPAC name of 5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide?
The IUPAC name of 5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide (CID 54250050) is 5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide.
What is the SMILES notation for 5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide?
The canonical SMILES for 5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide is CC(Cc1cc2c(c(C(N)=O)c1)NCC2)N=[N+]=[N-].
What is the InChIKey of 5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide?
The InChIKey is QWCUYVPBMLTTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7(16-17-14)4-8-5-9-2-3-15-11(9)10(6-8)12(13)18/h5-7,15H,2-4H2,1H3,(H2,13,18).
What are the key properties of 5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide?
5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azidopropyl)-2,3-dihydro-1H-indole-7-carboxamide is sourced from PubChem (CID 54250050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).