1-(4-iodopent-4-enyl)-3-methylpyrrolidine

C10H18IN — CID 155306683

IUPAC1-(4-iodopent-4-enyl)-3-methylpyrrolidine
SMILESC=C(I)CCCN1CCC(C)C1
InChIInChI=1S/C10H18IN/c1-9-5-7-12(8-9)6-3-4-10(2)11/h9H,2-8H2,1H3
InChIKeyZFVZTNAONQBPAU-UHFFFAOYSA-N
MW279.16 g/mol
LogP3.06
Rot. Bonds4

About 1-(4-iodopent-4-enyl)-3-methylpyrrolidine

1-(4-iodopent-4-enyl)-3-methylpyrrolidine (PubChem CID 155306683) has the molecular formula C10H18IN and a molecular weight of 279.16 g/mol. Its IUPAC name is 1-(4-iodopent-4-enyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(4-iodopent-4-enyl)-3-methylpyrrolidine
PubChem CID155306683
Molecular FormulaC10H18IN
Molecular Weight279.16 g/mol
Exact Mass279.05
IUPAC Name1-(4-iodopent-4-enyl)-3-methylpyrrolidine
SMILESC=C(I)CCCN1CCC(C)C1
InChIInChI=1S/C10H18IN/c1-9-5-7-12(8-9)6-3-4-10(2)11/h9H,2-8H2,1H3
InChIKeyZFVZTNAONQBPAU-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
ethane;3-methyl-1-[(Z)-3-methylidenehex-4-enyl]pyrrolidine
CID 142412235
1-butyl-3-methylpyrrolidine;trifluoromethanesulfonic acid
CID 171932138
1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328360
1-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopropan-1-ol
CID 126995531
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
1-(3-fluorobutyl)-3-methylpyrrolidine
CID 130660857
1-hexyl-3-methylpyrrolidine;trifluoromethanesulfonic acid
CID 175874968
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
CID 23403793
CID 23403793
4-(3,4-dimethylpiperidin-1-yl)butanoic acid
CID 115873359
[1-[2-(3-methylpyrrolidin-1-yl)ethyl]azetidin-2-yl]methanamine
CID 165493072

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodopent-4-enyl)-3-methylpyrrolidine?
The IUPAC name of 1-(4-iodopent-4-enyl)-3-methylpyrrolidine (CID 155306683) is 1-(4-iodopent-4-enyl)-3-methylpyrrolidine.
What is the SMILES notation for 1-(4-iodopent-4-enyl)-3-methylpyrrolidine?
The canonical SMILES for 1-(4-iodopent-4-enyl)-3-methylpyrrolidine is C=C(I)CCCN1CCC(C)C1.
What is the InChIKey of 1-(4-iodopent-4-enyl)-3-methylpyrrolidine?
The InChIKey is ZFVZTNAONQBPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18IN/c1-9-5-7-12(8-9)6-3-4-10(2)11/h9H,2-8H2,1H3.
What are the key properties of 1-(4-iodopent-4-enyl)-3-methylpyrrolidine?
1-(4-iodopent-4-enyl)-3-methylpyrrolidine has a molecular weight of 279.16 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodopent-4-enyl)-3-methylpyrrolidine is sourced from PubChem (CID 155306683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).