2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide

C7H11IN4O — CID 137418701

IUPAC2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
SMILESCC(CC(C)c1nn[nH]n1)C(=O)I
InChIInChI=1S/C7H11IN4O/c1-4(6(8)13)3-5(2)7-9-11-12-10-7/h4-5H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyKPRUBNIBMOBPQK-UHFFFAOYSA-N
MW294.10 g/mol
LogP1.29
Rot. Bonds4

About 2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide

2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide (PubChem CID 137418701) has the molecular formula C7H11IN4O and a molecular weight of 294.10 g/mol. Its IUPAC name is 2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide.

Molecular Properties

Compound Name2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
PubChem CID137418701
Molecular FormulaC7H11IN4O
Molecular Weight294.10 g/mol
Exact Mass294.00
IUPAC Name2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
SMILESCC(CC(C)c1nn[nH]n1)C(=O)I
InChIInChI=1S/C7H11IN4O/c1-4(6(8)13)3-5(2)7-9-11-12-10-7/h4-5H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyKPRUBNIBMOBPQK-UHFFFAOYSA-N
XLogP1.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(2H-tetrazol-5-yl)butan-2-one
CID 23540423
2-(2H-tetrazol-5-yl)pentan-3-one
CID 58062083
(4S)-4-(2H-tetrazol-5-yl)pentanal
CID 88884093
3-methyl-5-(2H-tetrazol-5-yl)hexan-2-one
CID 137418698
2-methyl-4-(2H-tetrazol-5-yl)pentanal
CID 137418779
2-methyl-6-(2H-tetrazol-5-yl)hexan-3-one
CID 140917317
4-methyl-1-(2H-tetrazol-5-yl)pentan-3-one
CID 146424539
2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
CID 148785658
4-(2H-tetrazol-5-yl)pentanal
CID 155444826
3,5-dimethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide
CID 163991968
2-phosphanyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
CID 174335955

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide?
The IUPAC name of 2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide (CID 137418701) is 2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide.
What is the SMILES notation for 2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide?
The canonical SMILES for 2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide is CC(CC(C)c1nn[nH]n1)C(=O)I.
What is the InChIKey of 2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide?
The InChIKey is KPRUBNIBMOBPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN4O/c1-4(6(8)13)3-5(2)7-9-11-12-10-7/h4-5H,3H2,1-2H3,(H,9,10,11,12).
What are the key properties of 2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide?
2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide has a molecular weight of 294.10 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2H-tetrazol-5-yl)pentanoyl iodide is sourced from PubChem (CID 137418701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).