4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine

C28H27NO — CID 72950873

IUPAC4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C28H27NO/c1-2-6-26-24(19-23(25(26)5-1)12-13-29-14-16-30-17-15-29)18-22-11-10-21-9-8-20-4-3-7-27(22)28(20)21/h1-7,10-11,18-19H,8-9,12-17H2/b24-18+
InChIKeyRKYUFHBUGWOTFU-HKOYGPOVSA-N
MW393.53 g/mol
LogP5.60
Rot. Bonds4

About 4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine

4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine (PubChem CID 72950873) has the molecular formula C28H27NO and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine
PubChem CID72950873
Molecular FormulaC28H27NO
Molecular Weight393.53 g/mol
Exact Mass393.21
IUPAC Name4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C28H27NO/c1-2-6-26-24(19-23(25(26)5-1)12-13-29-14-16-30-17-15-29)18-22-11-10-21-9-8-20-4-3-7-27(22)28(20)21/h1-7,10-11,18-19H,8-9,12-17H2/b24-18+
InChIKeyRKYUFHBUGWOTFU-HKOYGPOVSA-N
XLogP5.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine (CID 72950873) is 4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine is C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine?
The InChIKey is RKYUFHBUGWOTFU-HKOYGPOVSA-N. The full InChI is InChI=1S/C28H27NO/c1-2-6-26-24(19-23(25(26)5-1)12-13-29-14-16-30-17-15-29)18-22-11-10-21-9-8-20-4-3-7-27(22)28(20)21/h1-7,10-11,18-19H,8-9,12-17H2/b24-18+.
What are the key properties of 4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine has a molecular weight of 393.53 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 72950873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).