1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene

C15H21N3 — CID 57221120

IUPAC1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene
SMILESCC(C)C1=CCCC2=C1C(C[C@H](C)N=[N+]=[N-])C=C2
InChIInChI=1S/C15H21N3/c1-10(2)14-6-4-5-12-7-8-13(15(12)14)9-11(3)17-18-16/h6-8,10-11,13H,4-5,9H2,1-3H3/t11-,13?/m0/s1
InChIKeyAVONHTNPNLOALI-AMGKYWFPSA-N
MW243.35 g/mol
LogP4.93
Rot. Bonds4

About 1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene

1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene (PubChem CID 57221120) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene.

Molecular Properties

Compound Name1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene
PubChem CID57221120
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene
SMILESCC(C)C1=CCCC2=C1C(C[C@H](C)N=[N+]=[N-])C=C2
InChIInChI=1S/C15H21N3/c1-10(2)14-6-4-5-12-7-8-13(15(12)14)9-11(3)17-18-16/h6-8,10-11,13H,4-5,9H2,1-3H3/t11-,13?/m0/s1
InChIKeyAVONHTNPNLOALI-AMGKYWFPSA-N
XLogP4.93
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.93
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-4,4-dimethyl-1,5-dihydroindene
CID 56989174
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)-7-fluoro-4,4-dimethyl-1,5-dihydroindene
CID 57152144
1-(2-azidopropyl)-6-fluoro-4,5-dihydro-1H-indene
CID 57205619
1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene
CID 57277703
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-methyl-4,5-dihydro-1H-indene
CID 57000653
1-[(2S)-2-azidopropyl]-7-methyl-4,5-dihydro-1H-indene
CID 57004198
1-(2-Azidopropyl)-4,4,7-trimethyl-1,5-dihydroindene
CID 57040884
1-[(2S)-2-azidopropyl]-7-ethyl-4,5-dihydro-1H-indene
CID 57044198

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene?
The IUPAC name of 1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene (CID 57221120) is 1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene.
What is the SMILES notation for 1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene?
The canonical SMILES for 1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene is CC(C)C1=CCCC2=C1C(C[C@H](C)N=[N+]=[N-])C=C2.
What is the InChIKey of 1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene?
The InChIKey is AVONHTNPNLOALI-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)14-6-4-5-12-7-8-13(15(12)14)9-11(3)17-18-16/h6-8,10-11,13H,4-5,9H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of 1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene?
1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene has a molecular weight of 243.35 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene is sourced from PubChem (CID 57221120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).