7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

C13H20N6O2 — CID 56746017

IUPAC7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)CCn3cnnn3)C2)C1=O
InChIInChI=1S/C13H20N6O2/c1-17-6-2-4-13(12(17)21)5-8-18(9-13)11(20)3-7-19-10-14-15-16-19/h10H,2-9H2,1H3
InChIKeyBYKCKFKUZKCZIG-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.47
Rot. Bonds3

About 7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56746017) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56746017
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)CCn3cnnn3)C2)C1=O
InChIInChI=1S/C13H20N6O2/c1-17-6-2-4-13(12(17)21)5-8-18(9-13)11(20)3-7-19-10-14-15-16-19/h10H,2-9H2,1H3
InChIKeyBYKCKFKUZKCZIG-UHFFFAOYSA-N
XLogP-0.47
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 56746017) is 7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(C(=O)CCn3cnnn3)C2)C1=O.
What is the InChIKey of 7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BYKCKFKUZKCZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-17-6-2-4-13(12(17)21)5-8-18(9-13)11(20)3-7-19-10-14-15-16-19/h10H,2-9H2,1H3.
What are the key properties of 7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 292.34 g/mol, XLogP of -0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56746017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).