1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene

C15H21N3 — CID 57130736

IUPAC1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene
SMILESCC1=CCC(C)(C)C2=C1C(C[C@H](C)N=[N+]=[N-])C=C2
InChIInChI=1S/C15H21N3/c1-10-7-8-15(3,4)13-6-5-12(14(10)13)9-11(2)17-18-16/h5-7,11-12H,8-9H2,1-4H3/t11-,12?/m0/s1
InChIKeyRLRQBGASRGSYJT-PXYINDEMSA-N
MW243.35 g/mol
LogP4.93
Rot. Bonds3

About 1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene

1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene (PubChem CID 57130736) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene.

Molecular Properties

Compound Name1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene
PubChem CID57130736
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene
SMILESCC1=CCC(C)(C)C2=C1C(C[C@H](C)N=[N+]=[N-])C=C2
InChIInChI=1S/C15H21N3/c1-10-7-8-15(3,4)13-6-5-12(14(10)13)9-11(2)17-18-16/h5-7,11-12H,8-9H2,1-4H3/t11-,12?/m0/s1
InChIKeyRLRQBGASRGSYJT-PXYINDEMSA-N
XLogP4.93
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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]-4,4,7-trimethyl-1,5-dihydroindene?
The IUPAC name of 1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene (CID 57130736) is 1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene.
What is the SMILES notation for 1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene?
The canonical SMILES for 1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene is CC1=CCC(C)(C)C2=C1C(C[C@H](C)N=[N+]=[N-])C=C2.
What is the InChIKey of 1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene?
The InChIKey is RLRQBGASRGSYJT-PXYINDEMSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-7-8-15(3,4)13-6-5-12(14(10)13)9-11(2)17-18-16/h5-7,11-12H,8-9H2,1-4H3/t11-,12?/m0/s1.
What are the key properties of 1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene?
1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene has a molecular weight of 243.35 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene is sourced from PubChem (CID 57130736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).