(Z)-1-morpholin-2-yloctadec-9-en-1-one

C22H41NO2 — CID 174553797

IUPAC(Z)-1-morpholin-2-yloctadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)C1CNCCO1
InChIInChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-20-23-18-19-25-22/h9-10,22-23H,2-8,11-20H2,1H3/b10-9-
InChIKeyXIDATUKKTLDJHS-KTKRTIGZSA-N
MW351.58 g/mol
LogP5.58
Rot. Bonds16

About (Z)-1-morpholin-2-yloctadec-9-en-1-one

(Z)-1-morpholin-2-yloctadec-9-en-1-one (PubChem CID 174553797) has the molecular formula C22H41NO2 and a molecular weight of 351.58 g/mol. Its IUPAC name is (Z)-1-morpholin-2-yloctadec-9-en-1-one.

Molecular Properties

Compound Name(Z)-1-morpholin-2-yloctadec-9-en-1-one
PubChem CID174553797
Molecular FormulaC22H41NO2
Molecular Weight351.58 g/mol
Exact Mass351.31
IUPAC Name(Z)-1-morpholin-2-yloctadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)C1CNCCO1
InChIInChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-20-23-18-19-25-22/h9-10,22-23H,2-8,11-20H2,1H3/b10-9-
InChIKeyXIDATUKKTLDJHS-KTKRTIGZSA-N
XLogP5.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-2-ylhexadecan-1-one
CID 70404670
[(3R,4R)-4-[[(Z)-octadec-9-enoyl]oxymethyl]pyrrolidin-3-yl]methyl (Z)-octadec-9-enoate
CID 71293137
[(3S,4S)-4-[[(E)-octadec-9-enoyl]oxymethyl]pyrrolidin-3-yl]methyl (E)-octadec-9-enoate
CID 89427391
octadec-9-enoic acid;oxiran-2-ylmethanol
CID 173054254
1-(1,4-dioxan-2-yl)tridecan-1-one
CID 65350783
chromium;(Z)-octadec-9-enoic acid
CID 87072863
ethane;1-morpholin-2-ylethanone
CID 143224838
(3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one
CID 163113253
(E)-triacont-15-ene-8,23-dione
CID 11849500
1-morpholin-2-ylethyl decanoate
CID 174600549
calcium;(Z)-hexadec-9-enoic acid;hydride
CID 174048732
calcium;octadec-9-enoic acid;oxygen(2-)
CID 160947643

Frequently Asked Questions

What is the IUPAC name of (Z)-1-morpholin-2-yloctadec-9-en-1-one?
The IUPAC name of (Z)-1-morpholin-2-yloctadec-9-en-1-one (CID 174553797) is (Z)-1-morpholin-2-yloctadec-9-en-1-one.
What is the SMILES notation for (Z)-1-morpholin-2-yloctadec-9-en-1-one?
The canonical SMILES for (Z)-1-morpholin-2-yloctadec-9-en-1-one is CCCCCCCC/C=C\CCCCCCCC(=O)C1CNCCO1.
What is the InChIKey of (Z)-1-morpholin-2-yloctadec-9-en-1-one?
The InChIKey is XIDATUKKTLDJHS-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-20-23-18-19-25-22/h9-10,22-23H,2-8,11-20H2,1H3/b10-9-.
What are the key properties of (Z)-1-morpholin-2-yloctadec-9-en-1-one?
(Z)-1-morpholin-2-yloctadec-9-en-1-one has a molecular weight of 351.58 g/mol, XLogP of 5.58, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-morpholin-2-yloctadec-9-en-1-one is sourced from PubChem (CID 174553797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).