4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine

C24H24N2O — CID 90054857

IUPAC4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2cc[nH]c12
InChIInChI=1S/C24H24N2O/c1-2-7-23-21(17-20-5-3-4-18-8-10-25-24(18)20)16-19(22(23)6-1)9-11-26-12-14-27-15-13-26/h1-8,10,16-17,25H,9,11-15H2/b21-17+
InChIKeyGHMDNFTZEJNWKP-HEHNFIMWSA-N
MW356.47 g/mol
LogP4.83
Rot. Bonds4

About 4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine

4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine (PubChem CID 90054857) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine
PubChem CID90054857
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2cc[nH]c12
InChIInChI=1S/C24H24N2O/c1-2-7-23-21(17-20-5-3-4-18-8-10-25-24(18)20)16-19(22(23)6-1)9-11-26-12-14-27-15-13-26/h1-8,10,16-17,25H,9,11-15H2/b21-17+
InChIKeyGHMDNFTZEJNWKP-HEHNFIMWSA-N
XLogP4.83
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine (CID 90054857) is 4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine is C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2cc[nH]c12.
What is the InChIKey of 4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine?
The InChIKey is GHMDNFTZEJNWKP-HEHNFIMWSA-N. The full InChI is InChI=1S/C24H24N2O/c1-2-7-23-21(17-20-5-3-4-18-8-10-25-24(18)20)16-19(22(23)6-1)9-11-26-12-14-27-15-13-26/h1-8,10,16-17,25H,9,11-15H2/b21-17+.
What are the key properties of 4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine has a molecular weight of 356.47 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3E)-3-(1H-indol-7-ylmethylidene)inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 90054857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).