3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one

C8H12N4O — CID 107054792

IUPAC3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one
SMILESCn1nnc(CC2CCC(=O)C2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-8(9-11-12)5-6-2-3-7(13)4-6/h6H,2-5H2,1H3
InChIKeyLIDRHJWNEVEJEF-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.12
Rot. Bonds2

About 3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one

3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one (PubChem CID 107054792) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one
PubChem CID107054792
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one
SMILESCn1nnc(CC2CCC(=O)C2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-8(9-11-12)5-6-2-3-7(13)4-6/h6H,2-5H2,1H3
InChIKeyLIDRHJWNEVEJEF-UHFFFAOYSA-N
XLogP0.12
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Cyclopropyltetrazol-2-yl)methyl]cyclohexan-1-one
CID 128353873
2-[(5-Methyltetrazol-2-yl)methyl]cyclohexan-1-one
CID 59088662
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044506
3-[(2-Methyltetrazol-5-yl)methyl]pentan-2-one
CID 107044510
2-[(2-Methyltetrazol-5-yl)methyl]cyclopentan-1-one
CID 107044512
2-[(2-Methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044514
2-[(2-Methyltetrazol-5-yl)methyl]cycloheptan-1-one
CID 107044521
4-Methyl-3-[(2-methyltetrazol-5-yl)methyl]pentan-2-one
CID 107044536
1-Cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one
CID 107044538
2-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044540
5-Methyl-1-(2-methyltetrazol-5-yl)hexan-3-one
CID 107044542
1-Cyclopentyl-3-(2-methyltetrazol-5-yl)propan-1-one
CID 107044546

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one (CID 107054792) is 3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one is Cn1nnc(CC2CCC(=O)C2)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one?
The InChIKey is LIDRHJWNEVEJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-10-8(9-11-12)5-6-2-3-7(13)4-6/h6H,2-5H2,1H3.
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one?
3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one has a molecular weight of 180.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 107054792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).