N-cyclohex-2-en-1-yl-3-iodoaniline

C12H14IN — CID 107906519

IUPACN-cyclohex-2-en-1-yl-3-iodoaniline
SMILESIc1cccc(NC2C=CCCC2)c1
InChIInChI=1S/C12H14IN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h2,4-6,8-9,11,14H,1,3,7H2
InChIKeyNCCPFORZIKYDAR-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.81
Rot. Bonds2

About N-cyclohex-2-en-1-yl-3-iodoaniline

N-cyclohex-2-en-1-yl-3-iodoaniline (PubChem CID 107906519) has the molecular formula C12H14IN and a molecular weight of 299.16 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-3-iodoaniline.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-3-iodoaniline
PubChem CID107906519
Molecular FormulaC12H14IN
Molecular Weight299.16 g/mol
Exact Mass299.02
IUPAC NameN-cyclohex-2-en-1-yl-3-iodoaniline
SMILESIc1cccc(NC2C=CCCC2)c1
InChIInChI=1S/C12H14IN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h2,4-6,8-9,11,14H,1,3,7H2
InChIKeyNCCPFORZIKYDAR-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.81
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 N-cyclohex-2-en-1-yl-3-iodoaniline?
The IUPAC name of N-cyclohex-2-en-1-yl-3-iodoaniline (CID 107906519) is N-cyclohex-2-en-1-yl-3-iodoaniline.
What is the SMILES notation for N-cyclohex-2-en-1-yl-3-iodoaniline?
The canonical SMILES for N-cyclohex-2-en-1-yl-3-iodoaniline is Ic1cccc(NC2C=CCCC2)c1.
What is the InChIKey of N-cyclohex-2-en-1-yl-3-iodoaniline?
The InChIKey is NCCPFORZIKYDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h2,4-6,8-9,11,14H,1,3,7H2.
What are the key properties of N-cyclohex-2-en-1-yl-3-iodoaniline?
N-cyclohex-2-en-1-yl-3-iodoaniline has a molecular weight of 299.16 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-3-iodoaniline is sourced from PubChem (CID 107906519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).