2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one

C13H21N5O — CID 107043027

IUPAC2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCn1nnc(CN2CCCC2C2CCCCC2=O)n1
InChIInChI=1S/C13H21N5O/c1-17-15-13(14-16-17)9-18-8-4-6-11(18)10-5-2-3-7-12(10)19/h10-11H,2-9H2,1H3
InChIKeyQPEALDLINCPFPR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.93
Rot. Bonds3

About 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one

2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 107043027) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID107043027
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCn1nnc(CN2CCCC2C2CCCCC2=O)n1
InChIInChI=1S/C13H21N5O/c1-17-15-13(14-16-17)9-18-8-4-6-11(18)10-5-2-3-7-12(10)19/h10-11H,2-9H2,1H3
InChIKeyQPEALDLINCPFPR-UHFFFAOYSA-N
XLogP0.93
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyltetrazol-5-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one
CID 158958791
1-[1-[(2-Methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one
CID 107043025
1-[1-[(2-Methyltetrazol-5-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043028
2-[1-[(2-Methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 107043031
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047441
2-[1-[(2-Methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 113909182
2-[1-[(2-Methyltetrazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 113909184

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one (CID 107043027) is 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one is Cn1nnc(CN2CCCC2C2CCCCC2=O)n1.
What is the InChIKey of 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is QPEALDLINCPFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17-15-13(14-16-17)9-18-8-4-6-11(18)10-5-2-3-7-12(10)19/h10-11H,2-9H2,1H3.
What are the key properties of 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 263.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 107043027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).