1-[(E)-3-chloroprop-2-enyl]indol-4-amine

C11H11ClN2 — CID 107900582

IUPAC1-[(E)-3-chloroprop-2-enyl]indol-4-amine
SMILESNc1cccc2c1ccn2C/C=C/Cl
InChIInChI=1S/C11H11ClN2/c12-6-2-7-14-8-5-9-10(13)3-1-4-11(9)14/h1-6,8H,7,13H2/b6-2+
InChIKeyGUYZKVGQKFYUBH-QHHAFSJGSA-N
MW206.68 g/mol
LogP2.98
Rot. Bonds2

About 1-[(E)-3-chloroprop-2-enyl]indol-4-amine

1-[(E)-3-chloroprop-2-enyl]indol-4-amine (PubChem CID 107900582) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]indol-4-amine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]indol-4-amine
PubChem CID107900582
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name1-[(E)-3-chloroprop-2-enyl]indol-4-amine
SMILESNc1cccc2c1ccn2C/C=C/Cl
InChIInChI=1S/C11H11ClN2/c12-6-2-7-14-8-5-9-10(13)3-1-4-11(9)14/h1-6,8H,7,13H2/b6-2+
InChIKeyGUYZKVGQKFYUBH-QHHAFSJGSA-N
XLogP2.98
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]indol-4-amine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]indol-4-amine (CID 107900582) is 1-[(E)-3-chloroprop-2-enyl]indol-4-amine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]indol-4-amine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]indol-4-amine is Nc1cccc2c1ccn2C/C=C/Cl.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]indol-4-amine?
The InChIKey is GUYZKVGQKFYUBH-QHHAFSJGSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-6-2-7-14-8-5-9-10(13)3-1-4-11(9)14/h1-6,8H,7,13H2/b6-2+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]indol-4-amine?
1-[(E)-3-chloroprop-2-enyl]indol-4-amine has a molecular weight of 206.68 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]indol-4-amine is sourced from PubChem (CID 107900582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).