3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide

C17H25IN2 — CID 173456626

IUPAC3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide
SMILESCN1C(C2=CCCCC2)CC(c2ccccc2)N1C.I
InChIInChI=1S/C17H24N2.HI/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;/h3,5-6,9-11,16-17H,4,7-8,12-13H2,1-2H3;1H
InChIKeyMECOWVXGBRCEID-UHFFFAOYSA-N
MW384.31 g/mol
LogP4.40
Rot. Bonds2

About 3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide

3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide (PubChem CID 173456626) has the molecular formula C17H25IN2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide
PubChem CID173456626
Molecular FormulaC17H25IN2
Molecular Weight384.31 g/mol
Exact Mass384.11
IUPAC Name3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide
SMILESCN1C(C2=CCCCC2)CC(c2ccccc2)N1C.I
InChIInChI=1S/C17H24N2.HI/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;/h3,5-6,9-11,16-17H,4,7-8,12-13H2,1-2H3;1H
InChIKeyMECOWVXGBRCEID-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide?
The IUPAC name of 3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide (CID 173456626) is 3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide.
What is the SMILES notation for 3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide?
The canonical SMILES for 3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide is CN1C(C2=CCCCC2)CC(c2ccccc2)N1C.I.
What is the InChIKey of 3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide?
The InChIKey is MECOWVXGBRCEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.HI/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;/h3,5-6,9-11,16-17H,4,7-8,12-13H2,1-2H3;1H.
What are the key properties of 3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide?
3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide has a molecular weight of 384.31 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide is sourced from PubChem (CID 173456626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).