1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene

C12H13Cl2N3 — CID 56996745

IUPAC1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene
SMILESCC(CC1C=CC2=C1C(Cl)=C(Cl)CC2)N=[N+]=[N-]
InChIInChI=1S/C12H13Cl2N3/c1-7(16-17-15)6-9-3-2-8-4-5-10(13)12(14)11(8)9/h2-3,7,9H,4-6H2,1H3
InChIKeyNWAYLKHCAFVHDU-UHFFFAOYSA-N
MW270.16 g/mol
LogP5.04
Rot. Bonds3

About 1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene

1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene (PubChem CID 56996745) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene.

Molecular Properties

Compound Name1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene
PubChem CID56996745
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene
SMILESCC(CC1C=CC2=C1C(Cl)=C(Cl)CC2)N=[N+]=[N-]
InChIInChI=1S/C12H13Cl2N3/c1-7(16-17-15)6-9-3-2-8-4-5-10(13)12(14)11(8)9/h2-3,7,9H,4-6H2,1H3
InChIKeyNWAYLKHCAFVHDU-UHFFFAOYSA-N
XLogP5.04
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.16
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-[(2S)-2-azidopropyl]-7-fluoro-4,5-dihydro-1H-indene
CID 57025014
1-[(2R)-2-azidopropyl]-7-fluoro-4,5-dihydro-1H-indene
CID 57079523
1-(2-azidopropyl)-6-fluoro-4,5-dihydro-1H-indene
CID 57205619
1-[(2S)-2-azidopropyl]-6-fluoro-4,5-dihydro-1H-indene
CID 57305500
1-(2-azidopropyl)-5-methyl-4,5-dihydro-1H-indene
CID 56982295
1-(2-azidopropyl)-7-chloro-4,5-dihydro-1H-indene
CID 56997494
1-(2-azidopropyl)-7-methyl-4,5-dihydro-1H-indene
CID 57000653
1-[(2S)-2-azidopropyl]-7-methyl-4,5-dihydro-1H-indene
CID 57004198
1-(2-azidopropyl)-6-chloro-4,5-dihydro-1H-indene
CID 57093060
1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene
CID 57161509
1-[(2R)-2-azidopropyl]-7-chloro-4,5-dihydro-1H-indene
CID 57192425
1-[(2S)-2-azidopropyl]-7-chloro-4,5-dihydro-1H-indene
CID 57209270

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene?
The IUPAC name of 1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene (CID 56996745) is 1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene.
What is the SMILES notation for 1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene?
The canonical SMILES for 1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene is CC(CC1C=CC2=C1C(Cl)=C(Cl)CC2)N=[N+]=[N-].
What is the InChIKey of 1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene?
The InChIKey is NWAYLKHCAFVHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-7(16-17-15)6-9-3-2-8-4-5-10(13)12(14)11(8)9/h2-3,7,9H,4-6H2,1H3.
What are the key properties of 1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene?
1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene has a molecular weight of 270.16 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene is sourced from PubChem (CID 56996745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).