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

C8H12N4O — CID 107044512

IUPAC2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one
SMILESCn1nnc(CC2CCCC2=O)n1
InChIInChI=1S/C8H12N4O/c1-12-10-8(9-11-12)5-6-3-2-4-7(6)13/h6H,2-5H2,1H3
InChIKeyBYWQKJDOTRAHEC-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.12
Rot. Bonds2

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

2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one (PubChem CID 107044512) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one
PubChem CID107044512
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one
SMILESCn1nnc(CC2CCCC2=O)n1
InChIInChI=1S/C8H12N4O/c1-12-10-8(9-11-12)5-6-3-2-4-7(6)13/h6H,2-5H2,1H3
InChIKeyBYWQKJDOTRAHEC-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

2-[(5-Methyltetrazol-2-yl)methyl]cyclohexan-1-one
CID 59088662
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044506
3-Methyl-4-(2-methyltetrazol-5-yl)butan-2-one
CID 107044508
3-[(2-Methyltetrazol-5-yl)methyl]pentan-2-one
CID 107044510
2-[(2-Methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044514
2-[(2-Methyltetrazol-5-yl)methyl]cycloheptan-1-one
CID 107044521
4-Methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044523
4-Ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044525
2-[(2-Methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-one
CID 107044527
4-Tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044529
2-[(2-Methyltetrazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 107044534
4-Methyl-3-[(2-methyltetrazol-5-yl)methyl]pentan-2-one
CID 107044536

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one (CID 107044512) is 2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one is Cn1nnc(CC2CCCC2=O)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one?
The InChIKey is BYWQKJDOTRAHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-10-8(9-11-12)5-6-3-2-4-7(6)13/h6H,2-5H2,1H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one?
2-[(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 2-[(2-methyltetrazol-5-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 107044512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).