(Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one

C14H25NO2 — CID 165399164

IUPAC(Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one
SMILESC/C=C(/C)C(=O)[C@@H](C)CCCN1CCOCC1
InChIInChI=1S/C14H25NO2/c1-4-12(2)14(16)13(3)6-5-7-15-8-10-17-11-9-15/h4,13H,5-11H2,1-3H3/b12-4-/t13-/m0/s1
InChIKeyZSAQVLPYRIZSNR-VEIWZVCTSA-N
MW239.36 g/mol
LogP2.27
Rot. Bonds6

About (Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one

(Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one (PubChem CID 165399164) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one.

Molecular Properties

Compound Name(Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one
PubChem CID165399164
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one
SMILESC/C=C(/C)C(=O)[C@@H](C)CCCN1CCOCC1
InChIInChI=1S/C14H25NO2/c1-4-12(2)14(16)13(3)6-5-7-15-8-10-17-11-9-15/h4,13H,5-11H2,1-3H3/b12-4-/t13-/m0/s1
InChIKeyZSAQVLPYRIZSNR-VEIWZVCTSA-N
XLogP2.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
formic acid;4-(4-methylpentyl)morpholine
CID 172564161
(4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one
CID 176762057
(3S)-3-methyl-6-morpholin-4-ylhexan-1-ol
CID 174809295
4-methyl-6-morpholin-4-ylhexan-3-one
CID 79416722
2-methyl-4-morpholin-4-ylbutanoate;hydrochloride
CID 23621496
18-morpholin-4-yloctadecan-7-ol
CID 154324774
CID 174952930
CID 174952930
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-morpholin-4-ylpentanoic acid
CID 146596312
4-(4-methylnonyl)morpholine
CID 170444016
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347

Frequently Asked Questions

What is the IUPAC name of (Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one?
The IUPAC name of (Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one (CID 165399164) is (Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one.
What is the SMILES notation for (Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one?
The canonical SMILES for (Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one is C/C=C(/C)C(=O)[C@@H](C)CCCN1CCOCC1.
What is the InChIKey of (Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one?
The InChIKey is ZSAQVLPYRIZSNR-VEIWZVCTSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-12(2)14(16)13(3)6-5-7-15-8-10-17-11-9-15/h4,13H,5-11H2,1-3H3/b12-4-/t13-/m0/s1.
What are the key properties of (Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one?
(Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one has a molecular weight of 239.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one is sourced from PubChem (CID 165399164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).