2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione

C14H23NO3 — CID 101231184

IUPAC2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione
SMILESC=CCCCCC(C(C)=O)C(=O)N1CCOCC1
InChIInChI=1S/C14H23NO3/c1-3-4-5-6-7-13(12(2)16)14(17)15-8-10-18-11-9-15/h3,13H,1,4-11H2,2H3
InChIKeyWRZNRQQUDCSJNF-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.80
Rot. Bonds7

About 2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione

2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione (PubChem CID 101231184) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione.

Molecular Properties

Compound Name2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione
PubChem CID101231184
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione
SMILESC=CCCCCC(C(C)=O)C(=O)N1CCOCC1
InChIInChI=1S/C14H23NO3/c1-3-4-5-6-7-13(12(2)16)14(17)15-8-10-18-11-9-15/h3,13H,1,4-11H2,2H3
InChIKeyWRZNRQQUDCSJNF-UHFFFAOYSA-N
XLogP1.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 99628944
2-acetylhept-6-enoic acid
CID 14867645
4-(2-methyloct-7-enyl)morpholine
CID 15370631
tert-butyl 2-acetyloct-7-enoate
CID 14641471
4-oct-7-enylmorpholine
CID 67850758
2-chloro-1-morpholin-4-ylnonan-1-one
CID 55048109
[(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 124855993
nonacosa-1,28-dien-15-yl acetate
CID 101064980
1-morpholin-4-yl-2-propylhexan-1-one
CID 146231854
2-chloro-1-morpholin-4-ylhexan-1-one
CID 62226127
3-methyl-2-(2-methylprop-2-enylamino)-1-morpholin-4-ylbutan-1-one
CID 84598838
3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 70169361

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione?
The IUPAC name of 2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione (CID 101231184) is 2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione.
What is the SMILES notation for 2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione?
The canonical SMILES for 2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione is C=CCCCCC(C(C)=O)C(=O)N1CCOCC1.
What is the InChIKey of 2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione?
The InChIKey is WRZNRQQUDCSJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-4-5-6-7-13(12(2)16)14(17)15-8-10-18-11-9-15/h3,13H,1,4-11H2,2H3.
What are the key properties of 2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione?
2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione has a molecular weight of 253.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione is sourced from PubChem (CID 101231184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).