5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole

C10H17N5O2 — CID 155961190

IUPAC5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole
SMILESC1COC(CN2CCC(Cc3nn[nH]n3)C2)O1
InChIInChI=1S/C10H17N5O2/c1-2-15(7-10-16-3-4-17-10)6-8(1)5-9-11-13-14-12-9/h8,10H,1-7H2,(H,11,12,13,14)
InChIKeyNPWLPPUMRWGHBT-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.56
Rot. Bonds4

About 5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole

5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole (PubChem CID 155961190) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole
PubChem CID155961190
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole
SMILESC1COC(CN2CCC(Cc3nn[nH]n3)C2)O1
InChIInChI=1S/C10H17N5O2/c1-2-15(7-10-16-3-4-17-10)6-8(1)5-9-11-13-14-12-9/h8,10H,1-7H2,(H,11,12,13,14)
InChIKeyNPWLPPUMRWGHBT-UHFFFAOYSA-N
XLogP-0.56
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole?
The IUPAC name of 5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole (CID 155961190) is 5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole.
What is the SMILES notation for 5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole?
The canonical SMILES for 5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole is C1COC(CN2CCC(Cc3nn[nH]n3)C2)O1.
What is the InChIKey of 5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole?
The InChIKey is NPWLPPUMRWGHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-15(7-10-16-3-4-17-10)6-8(1)5-9-11-13-14-12-9/h8,10H,1-7H2,(H,11,12,13,14).
What are the key properties of 5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole?
5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole has a molecular weight of 239.28 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1,3-dioxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2H-tetrazole is sourced from PubChem (CID 155961190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).