(2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole

C9H9N5 — CID 16744288

IUPAC(2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)C[C@@H](c1nn[nH]n1)N2
InChIInChI=1S/C9H9N5/c1-2-4-7-6(3-1)5-8(10-7)9-11-13-14-12-9/h1-4,8,10H,5H2,(H,11,12,13,14)/t8-/m0/s1
InChIKeyGSSHDAJKTXAEMX-QMMMGPOBSA-N
MW187.21 g/mol
LogP0.91
Rot. Bonds1

About (2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole

(2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole (PubChem CID 16744288) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is (2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole
PubChem CID16744288
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name(2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)C[C@@H](c1nn[nH]n1)N2
InChIInChI=1S/C9H9N5/c1-2-4-7-6(3-1)5-8(10-7)9-11-13-14-12-9/h1-4,8,10H,5H2,(H,11,12,13,14)/t8-/m0/s1
InChIKeyGSSHDAJKTXAEMX-QMMMGPOBSA-N
XLogP0.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole?
The IUPAC name of (2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole (CID 16744288) is (2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for (2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for (2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole is c1ccc2c(c1)C[C@@H](c1nn[nH]n1)N2.
What is the InChIKey of (2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole?
The InChIKey is GSSHDAJKTXAEMX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9N5/c1-2-4-7-6(3-1)5-8(10-7)9-11-13-14-12-9/h1-4,8,10H,5H2,(H,11,12,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole?
(2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole has a molecular weight of 187.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 16744288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).