3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine

C12H14IN — CID 65489768

IUPAC3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine
SMILESNC1C=C(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C12H14IN/c13-11-4-1-9(2-5-11)7-10-3-6-12(14)8-10/h1-2,4-5,8,12H,3,6-7,14H2
InChIKeyWVTMELGMRMVBFW-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.88
Rot. Bonds2

About 3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine

3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine (PubChem CID 65489768) has the molecular formula C12H14IN and a molecular weight of 299.15 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine
PubChem CID65489768
Molecular FormulaC12H14IN
Molecular Weight299.15 g/mol
Exact Mass299.02
IUPAC Name3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine
SMILESNC1C=C(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C12H14IN/c13-11-4-1-9(2-5-11)7-10-3-6-12(14)8-10/h1-2,4-5,8,12H,3,6-7,14H2
InChIKeyWVTMELGMRMVBFW-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine (CID 65489768) is 3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine is NC1C=C(Cc2ccc(I)cc2)CC1.
What is the InChIKey of 3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine?
The InChIKey is WVTMELGMRMVBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN/c13-11-4-1-9(2-5-11)7-10-3-6-12(14)8-10/h1-2,4-5,8,12H,3,6-7,14H2.
What are the key properties of 3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine?
3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine has a molecular weight of 299.15 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 65489768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).