2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C11H19N5 — CID 67986552

IUPAC2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC(C)N1CC2CC(n3ncnn3)CC2C1
InChIInChI=1S/C11H19N5/c1-8(2)15-5-9-3-11(4-10(9)6-15)16-13-7-12-14-16/h7-11H,3-6H2,1-2H3
InChIKeyHHEUGNMSFQYMDQ-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.96
Rot. Bonds2

About 2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 67986552) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID67986552
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC(C)N1CC2CC(n3ncnn3)CC2C1
InChIInChI=1S/C11H19N5/c1-8(2)15-5-9-3-11(4-10(9)6-15)16-13-7-12-14-16/h7-11H,3-6H2,1-2H3
InChIKeyHHEUGNMSFQYMDQ-UHFFFAOYSA-N
XLogP0.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 67986552) is 2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC(C)N1CC2CC(n3ncnn3)CC2C1.
What is the InChIKey of 2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is HHEUGNMSFQYMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8(2)15-5-9-3-11(4-10(9)6-15)16-13-7-12-14-16/h7-11H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 221.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(tetrazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 67986552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).