1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine

C9H16IN — CID 90117596

IUPAC1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine
SMILESCC(C)(C)N1CC(/C=C/I)C1
InChIInChI=1S/C9H16IN/c1-9(2,3)11-6-8(7-11)4-5-10/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKeyXYIPVIBLRFXQQR-SNAWJCMRSA-N
MW265.14 g/mol
LogP2.67
Rot. Bonds1

About 1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine

1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine (PubChem CID 90117596) has the molecular formula C9H16IN and a molecular weight of 265.14 g/mol. Its IUPAC name is 1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine
PubChem CID90117596
Molecular FormulaC9H16IN
Molecular Weight265.14 g/mol
Exact Mass265.03
IUPAC Name1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine
SMILESCC(C)(C)N1CC(/C=C/I)C1
InChIInChI=1S/C9H16IN/c1-9(2,3)11-6-8(7-11)4-5-10/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKeyXYIPVIBLRFXQQR-SNAWJCMRSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine 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

5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 22943643
(3aR,6aS)-5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 90292242
1-tert-butylpyrrolidine-3,4-diamine
CID 89335821
N-(1-tert-butylazetidin-3-yl)acetamide
CID 58877828
1-tert-butyl-4-methylpyrrolidin-3-ol
CID 58311491
3-tert-butyl-6-sulfanyl-3,6-diazabicyclo[3.1.1]heptane
CID 167027579
1-tert-butylazetidine-3-thiol;methane
CID 157446837
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
1-[(4S)-1-tert-butyl-4-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethylpropan-1-one
CID 154971064
(3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine
CID 166649366
1,3,5-tritert-butylpiperidine
CID 118013533
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
CID 90396044

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine?
The IUPAC name of 1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine (CID 90117596) is 1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine.
What is the SMILES notation for 1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine?
The canonical SMILES for 1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine is CC(C)(C)N1CC(/C=C/I)C1.
What is the InChIKey of 1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine?
The InChIKey is XYIPVIBLRFXQQR-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16IN/c1-9(2,3)11-6-8(7-11)4-5-10/h4-5,8H,6-7H2,1-3H3/b5-4+.
What are the key properties of 1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine?
1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine has a molecular weight of 265.14 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(E)-2-iodoethenyl]azetidine is sourced from PubChem (CID 90117596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).