4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine

C29H31NO — CID 72950872

IUPAC4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine
SMILESCCCc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C29H31NO/c1-2-7-22-12-13-23(27-9-4-3-8-26(22)27)20-25-21-24(28-10-5-6-11-29(25)28)14-15-30-16-18-31-19-17-30/h3-6,8-13,20-21H,2,7,14-19H2,1H3/b25-20+
InChIKeyLNMJOKWZPNIBKY-LKUDQCMESA-N
MW409.57 g/mol
LogP6.45
Rot. Bonds6

About 4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine

4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine (PubChem CID 72950872) has the molecular formula C29H31NO and a molecular weight of 409.57 g/mol. Its IUPAC name is 4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine
PubChem CID72950872
Molecular FormulaC29H31NO
Molecular Weight409.57 g/mol
Exact Mass409.24
IUPAC Name4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine
SMILESCCCc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C29H31NO/c1-2-7-22-12-13-23(27-9-4-3-8-26(22)27)20-25-21-24(28-10-5-6-11-29(25)28)14-15-30-16-18-31-19-17-30/h3-6,8-13,20-21H,2,7,14-19H2,1H3/b25-20+
InChIKeyLNMJOKWZPNIBKY-LKUDQCMESA-N
XLogP6.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 56.45
H-Bond Donors ≤ 50
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-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine (CID 72950872) is 4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine is CCCc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)c2ccccc12.
What is the InChIKey of 4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine?
The InChIKey is LNMJOKWZPNIBKY-LKUDQCMESA-N. The full InChI is InChI=1S/C29H31NO/c1-2-7-22-12-13-23(27-9-4-3-8-26(22)27)20-25-21-24(28-10-5-6-11-29(25)28)14-15-30-16-18-31-19-17-30/h3-6,8-13,20-21H,2,7,14-19H2,1H3/b25-20+.
What are the key properties of 4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine has a molecular weight of 409.57 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3E)-3-[(4-propylnaphthalen-1-yl)methylidene]inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 72950872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).