4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine

C17H25N3O — CID 63534593

IUPAC4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine
SMILESc1cc2c(cc1CN1CCC(N3CCOCC3)C1)CCN2
InChIInChI=1S/C17H25N3O/c1-2-17-15(3-5-18-17)11-14(1)12-19-6-4-16(13-19)20-7-9-21-10-8-20/h1-2,11,16,18H,3-10,12-13H2
InChIKeyMGUAMAMJZSQYDS-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.56
Rot. Bonds3

About 4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine

4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine (PubChem CID 63534593) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine
PubChem CID63534593
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine
SMILESc1cc2c(cc1CN1CCC(N3CCOCC3)C1)CCN2
InChIInChI=1S/C17H25N3O/c1-2-17-15(3-5-18-17)11-14(1)12-19-6-4-16(13-19)20-7-9-21-10-8-20/h1-2,11,16,18H,3-10,12-13H2
InChIKeyMGUAMAMJZSQYDS-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine (CID 63534593) is 4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine is c1cc2c(cc1CN1CCC(N3CCOCC3)C1)CCN2.
What is the InChIKey of 4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine?
The InChIKey is MGUAMAMJZSQYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-17-15(3-5-18-17)11-14(1)12-19-6-4-16(13-19)20-7-9-21-10-8-20/h1-2,11,16,18H,3-10,12-13H2.
What are the key properties of 4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine?
4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine has a molecular weight of 287.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 63534593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).