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

C10H16N4O — CID 107044521

IUPAC2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one
SMILESCn1nnc(CC2CCCCCC2=O)n1
InChIInChI=1S/C10H16N4O/c1-14-12-10(11-13-14)7-8-5-3-2-4-6-9(8)15/h8H,2-7H2,1H3
InChIKeyNQVPEGRJHLSSSL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.90
Rot. Bonds2

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

2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one (PubChem CID 107044521) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one
PubChem CID107044521
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one
SMILESCn1nnc(CC2CCCCCC2=O)n1
InChIInChI=1S/C10H16N4O/c1-14-12-10(11-13-14)7-8-5-3-2-4-6-9(8)15/h8H,2-7H2,1H3
InChIKeyNQVPEGRJHLSSSL-UHFFFAOYSA-N
XLogP0.90
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-7-(2H-tetrazol-5-yl)heptan-2-one
CID 129162779
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044506
2-[(2-Methyltetrazol-5-yl)methyl]cyclopentan-1-one
CID 107044512
2-[(2-Methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044514
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
2-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044540
5-Methyl-1-(2-methyltetrazol-5-yl)hexan-3-one
CID 107044542

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one (CID 107044521) is 2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one is Cn1nnc(CC2CCCCCC2=O)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one?
The InChIKey is NQVPEGRJHLSSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-12-10(11-13-14)7-8-5-3-2-4-6-9(8)15/h8H,2-7H2,1H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one?
2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-one has a molecular weight of 208.26 g/mol, XLogP of 0.90, 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]cycloheptan-1-one is sourced from PubChem (CID 107044521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).