1-(prop-2-enoxymethyl)indol-5-amine

C12H14N2O — CID 165471935

IUPAC1-(prop-2-enoxymethyl)indol-5-amine
SMILESC=CCOCn1ccc2cc(N)ccc21
InChIInChI=1S/C12H14N2O/c1-2-7-15-9-14-6-5-10-8-11(13)3-4-12(10)14/h2-6,8H,1,7,9,13H2
InChIKeyYLCCUTOGPCIILK-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.38
Rot. Bonds4

About 1-(prop-2-enoxymethyl)indol-5-amine

1-(prop-2-enoxymethyl)indol-5-amine (PubChem CID 165471935) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(prop-2-enoxymethyl)indol-5-amine.

Molecular Properties

Compound Name1-(prop-2-enoxymethyl)indol-5-amine
PubChem CID165471935
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(prop-2-enoxymethyl)indol-5-amine
SMILESC=CCOCn1ccc2cc(N)ccc21
InChIInChI=1S/C12H14N2O/c1-2-7-15-9-14-6-5-10-8-11(13)3-4-12(10)14/h2-6,8H,1,7,9,13H2
InChIKeyYLCCUTOGPCIILK-UHFFFAOYSA-N
XLogP2.38
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enoxymethyl)indol-5-amine?
The IUPAC name of 1-(prop-2-enoxymethyl)indol-5-amine (CID 165471935) is 1-(prop-2-enoxymethyl)indol-5-amine.
What is the SMILES notation for 1-(prop-2-enoxymethyl)indol-5-amine?
The canonical SMILES for 1-(prop-2-enoxymethyl)indol-5-amine is C=CCOCn1ccc2cc(N)ccc21.
What is the InChIKey of 1-(prop-2-enoxymethyl)indol-5-amine?
The InChIKey is YLCCUTOGPCIILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-7-15-9-14-6-5-10-8-11(13)3-4-12(10)14/h2-6,8H,1,7,9,13H2.
What are the key properties of 1-(prop-2-enoxymethyl)indol-5-amine?
1-(prop-2-enoxymethyl)indol-5-amine has a molecular weight of 202.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enoxymethyl)indol-5-amine is sourced from PubChem (CID 165471935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).