2-(1H-indol-4-yl)-4-prop-2-enylmorpholine

C15H18N2O — CID 70421433

IUPAC2-(1H-indol-4-yl)-4-prop-2-enylmorpholine
SMILESC=CCN1CCOC(c2cccc3[nH]ccc23)C1
InChIInChI=1S/C15H18N2O/c1-2-8-17-9-10-18-15(11-17)13-4-3-5-14-12(13)6-7-16-14/h2-7,15-16H,1,8-11H2
InChIKeyLEYJOVDQBPAPKC-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.73
Rot. Bonds3

About 2-(1H-indol-4-yl)-4-prop-2-enylmorpholine

2-(1H-indol-4-yl)-4-prop-2-enylmorpholine (PubChem CID 70421433) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(1H-indol-4-yl)-4-prop-2-enylmorpholine.

Molecular Properties

Compound Name2-(1H-indol-4-yl)-4-prop-2-enylmorpholine
PubChem CID70421433
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(1H-indol-4-yl)-4-prop-2-enylmorpholine
SMILESC=CCN1CCOC(c2cccc3[nH]ccc23)C1
InChIInChI=1S/C15H18N2O/c1-2-8-17-9-10-18-15(11-17)13-4-3-5-14-12(13)6-7-16-14/h2-7,15-16H,1,8-11H2
InChIKeyLEYJOVDQBPAPKC-UHFFFAOYSA-N
XLogP2.73
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-yl)-4-prop-2-enylmorpholine?
The IUPAC name of 2-(1H-indol-4-yl)-4-prop-2-enylmorpholine (CID 70421433) is 2-(1H-indol-4-yl)-4-prop-2-enylmorpholine.
What is the SMILES notation for 2-(1H-indol-4-yl)-4-prop-2-enylmorpholine?
The canonical SMILES for 2-(1H-indol-4-yl)-4-prop-2-enylmorpholine is C=CCN1CCOC(c2cccc3[nH]ccc23)C1.
What is the InChIKey of 2-(1H-indol-4-yl)-4-prop-2-enylmorpholine?
The InChIKey is LEYJOVDQBPAPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-8-17-9-10-18-15(11-17)13-4-3-5-14-12(13)6-7-16-14/h2-7,15-16H,1,8-11H2.
What are the key properties of 2-(1H-indol-4-yl)-4-prop-2-enylmorpholine?
2-(1H-indol-4-yl)-4-prop-2-enylmorpholine has a molecular weight of 242.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-yl)-4-prop-2-enylmorpholine is sourced from PubChem (CID 70421433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).