3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine

C17H19NO — CID 116685832

IUPAC3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine
SMILESCC1COCC(/C=C/c2ccc3ccccc3c2)N1
InChIInChI=1S/C17H19NO/c1-13-11-19-12-17(18-13)9-7-14-6-8-15-4-2-3-5-16(15)10-14/h2-10,13,17-18H,11-12H2,1H3/b9-7+
InChIKeyLMPKJWZNKINFKY-VQHVLOKHSA-N
MW253.35 g/mol
LogP3.23
Rot. Bonds2

About 3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine

3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine (PubChem CID 116685832) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine.

Molecular Properties

Compound Name3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine
PubChem CID116685832
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine
SMILESCC1COCC(/C=C/c2ccc3ccccc3c2)N1
InChIInChI=1S/C17H19NO/c1-13-11-19-12-17(18-13)9-7-14-6-8-15-4-2-3-5-16(15)10-14/h2-10,13,17-18H,11-12H2,1H3/b9-7+
InChIKeyLMPKJWZNKINFKY-VQHVLOKHSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine?
The IUPAC name of 3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine (CID 116685832) is 3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine.
What is the SMILES notation for 3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine?
The canonical SMILES for 3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine is CC1COCC(/C=C/c2ccc3ccccc3c2)N1.
What is the InChIKey of 3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine?
The InChIKey is LMPKJWZNKINFKY-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-11-19-12-17(18-13)9-7-14-6-8-15-4-2-3-5-16(15)10-14/h2-10,13,17-18H,11-12H2,1H3/b9-7+.
What are the key properties of 3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine?
3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine has a molecular weight of 253.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine is sourced from PubChem (CID 116685832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).