1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene

C12H14ClN3 — CID 57161509

IUPAC1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene
SMILESCC(CC1C=CC2=C1C=CC(Cl)C2)N=[N+]=[N-]
InChIInChI=1S/C12H14ClN3/c1-8(15-16-14)6-9-2-3-10-7-11(13)4-5-12(9)10/h2-5,8-9,11H,6-7H2,1H3
InChIKeyWRFSVKGYZDXPDN-UHFFFAOYSA-N
MW235.72 g/mol
LogP4.13
Rot. Bonds3

About 1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene

1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene (PubChem CID 57161509) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene.

Molecular Properties

Compound Name1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene
PubChem CID57161509
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene
SMILESCC(CC1C=CC2=C1C=CC(Cl)C2)N=[N+]=[N-]
InChIInChI=1S/C12H14ClN3/c1-8(15-16-14)6-9-2-3-10-7-11(13)4-5-12(9)10/h2-5,8-9,11H,6-7H2,1H3
InChIKeyWRFSVKGYZDXPDN-UHFFFAOYSA-N
XLogP4.13
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-(2-azidopropyl)-5-methyl-4,5-dihydro-1H-indene
CID 56982295
1-(2-azidopropyl)-6,7-dichloro-4,5-dihydro-1H-indene
CID 56996745
1-(2-azidopropyl)-7-chloro-4,5-dihydro-1H-indene
CID 56997494
1-(2-azidopropyl)-6-chloro-4,5-dihydro-1H-indene
CID 57093060
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
5-Chloro-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),3,7,13-tetraene
CID 91474364

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene?
The IUPAC name of 1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene (CID 57161509) is 1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene.
What is the SMILES notation for 1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene?
The canonical SMILES for 1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene is CC(CC1C=CC2=C1C=CC(Cl)C2)N=[N+]=[N-].
What is the InChIKey of 1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene?
The InChIKey is WRFSVKGYZDXPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8(15-16-14)6-9-2-3-10-7-11(13)4-5-12(9)10/h2-5,8-9,11H,6-7H2,1H3.
What are the key properties of 1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene?
1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene has a molecular weight of 235.72 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidopropyl)-5-chloro-4,5-dihydro-1H-indene is sourced from PubChem (CID 57161509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).