4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine

C27H27NO — CID 10619854

IUPAC4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESCC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2ccccc12
InChIInChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
InChIKeyXVYHROZUQPHJKX-ZXVVBBHZSA-N
MW381.52 g/mol
LogP5.89
Rot. Bonds4

About 4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine

4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine (PubChem CID 10619854) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine
PubChem CID10619854
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine
SMILESCC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2ccccc12
InChIInChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+
InChIKeyXVYHROZUQPHJKX-ZXVVBBHZSA-N
XLogP5.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(3E)-3-[(4-ethylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine
CID 72950702
PrNMI
CID 72950872
4-(2-Naphthylmethyl)morpholine
CID 783185
4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 9976253
4-(2-{3-[1-Naphthalen-1-yl-meth-(Z)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10546947
4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10667559
4-(2-{3-[1-Phenyl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 44350470
4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72948233
4-[2-[(3E)-3-(1,2-dihydroacenaphthylen-5-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72950873
4-[2-[(3E)-3-(phenanthren-4-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72950874
4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 72950876
4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 118332421

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine (CID 10619854) is 4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine is CC1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2ccccc12.
What is the InChIKey of 4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine?
The InChIKey is XVYHROZUQPHJKX-ZXVVBBHZSA-N. The full InChI is InChI=1S/C27H27NO/c1-20-23(13-14-28-15-17-29-18-16-28)25-11-4-5-12-26(25)27(20)19-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19H,13-18H2,1H3/b27-19+.
What are the key properties of 4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine has a molecular weight of 381.52 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3E)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 10619854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).