1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole

C18H25N5 — CID 652993

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole
SMILESCC(C)C(c1nnnn1C1CCCC1)N1CCc2ccccc21
InChIInChI=1S/C18H25N5/c1-13(2)17(22-12-11-14-7-3-6-10-16(14)22)18-19-20-21-23(18)15-8-4-5-9-15/h3,6-7,10,13,15,17H,4-5,8-9,11-12H2,1-2H3
InChIKeyVEOTWIPGNJIFSF-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.55
Rot. Bonds4

About 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole

1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole (PubChem CID 652993) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole
PubChem CID652993
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole
SMILESCC(C)C(c1nnnn1C1CCCC1)N1CCc2ccccc21
InChIInChI=1S/C18H25N5/c1-13(2)17(22-12-11-14-7-3-6-10-16(14)22)18-19-20-21-23(18)15-8-4-5-9-15/h3,6-7,10,13,15,17H,4-5,8-9,11-12H2,1-2H3
InChIKeyVEOTWIPGNJIFSF-UHFFFAOYSA-N
XLogP3.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole (CID 652993) is 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole is CC(C)C(c1nnnn1C1CCCC1)N1CCc2ccccc21.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole?
The InChIKey is VEOTWIPGNJIFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-13(2)17(22-12-11-14-7-3-6-10-16(14)22)18-19-20-21-23(18)15-8-4-5-9-15/h3,6-7,10,13,15,17H,4-5,8-9,11-12H2,1-2H3.
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole?
1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole has a molecular weight of 311.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-2,3-dihydroindole is sourced from PubChem (CID 652993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).