2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline

C10H14IN3O — CID 146594075

IUPAC2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline
SMILESC=CCNc1cc(OC)ccc1NNI
InChIInChI=1S/C10H14IN3O/c1-3-6-12-10-7-8(15-2)4-5-9(10)13-14-11/h3-5,7,12-14H,1,6H2,2H3
InChIKeyWSCRXIXFGRXNKE-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.56
Rot. Bonds6

About 2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline

2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline (PubChem CID 146594075) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline.

Molecular Properties

Compound Name2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline
PubChem CID146594075
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline
SMILESC=CCNc1cc(OC)ccc1NNI
InChIInChI=1S/C10H14IN3O/c1-3-6-12-10-7-8(15-2)4-5-9(10)13-14-11/h3-5,7,12-14H,1,6H2,2H3
InChIKeyWSCRXIXFGRXNKE-UHFFFAOYSA-N
XLogP2.56
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline?
The IUPAC name of 2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline (CID 146594075) is 2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline.
What is the SMILES notation for 2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline?
The canonical SMILES for 2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline is C=CCNc1cc(OC)ccc1NNI.
What is the InChIKey of 2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline?
The InChIKey is WSCRXIXFGRXNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-3-6-12-10-7-8(15-2)4-5-9(10)13-14-11/h3-5,7,12-14H,1,6H2,2H3.
What are the key properties of 2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline?
2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline has a molecular weight of 319.15 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodohydrazinyl)-5-methoxy-N-prop-2-enylaniline is sourced from PubChem (CID 146594075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).