(1-non-8-enoylazetidin-3-yl) prop-2-enoate

C15H23NO3 — CID 143081135

IUPAC(1-non-8-enoylazetidin-3-yl) prop-2-enoate
SMILESC=CCCCCCCC(=O)N1CC(OC(=O)C=C)C1
InChIInChI=1S/C15H23NO3/c1-3-5-6-7-8-9-10-14(17)16-11-13(12-16)19-15(18)4-2/h3-4,13H,1-2,5-12H2
InChIKeyMEHAETYMJDEGTD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.45
Rot. Bonds9

About (1-non-8-enoylazetidin-3-yl) prop-2-enoate

(1-non-8-enoylazetidin-3-yl) prop-2-enoate (PubChem CID 143081135) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (1-non-8-enoylazetidin-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(1-non-8-enoylazetidin-3-yl) prop-2-enoate
PubChem CID143081135
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(1-non-8-enoylazetidin-3-yl) prop-2-enoate
SMILESC=CCCCCCCC(=O)N1CC(OC(=O)C=C)C1
InChIInChI=1S/C15H23NO3/c1-3-5-6-7-8-9-10-14(17)16-11-13(12-16)19-15(18)4-2/h3-4,13H,1-2,5-12H2
InChIKeyMEHAETYMJDEGTD-UHFFFAOYSA-N
XLogP2.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(9E,12E)-octadeca-9,12-dienoyl]amino]ethyl prop-2-enoate
CID 118185013
2-[Methyl(octadeca-9,12-dienoyl)amino]ethyl prop-2-enoate
CID 123441867
Formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate
CID 143081134
1-(Non-8-enoylamino)propan-2-yl prop-2-enoate
CID 143060920

Frequently Asked Questions

What is the IUPAC name of (1-non-8-enoylazetidin-3-yl) prop-2-enoate?
The IUPAC name of (1-non-8-enoylazetidin-3-yl) prop-2-enoate (CID 143081135) is (1-non-8-enoylazetidin-3-yl) prop-2-enoate.
What is the SMILES notation for (1-non-8-enoylazetidin-3-yl) prop-2-enoate?
The canonical SMILES for (1-non-8-enoylazetidin-3-yl) prop-2-enoate is C=CCCCCCCC(=O)N1CC(OC(=O)C=C)C1.
What is the InChIKey of (1-non-8-enoylazetidin-3-yl) prop-2-enoate?
The InChIKey is MEHAETYMJDEGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-5-6-7-8-9-10-14(17)16-11-13(12-16)19-15(18)4-2/h3-4,13H,1-2,5-12H2.
What are the key properties of (1-non-8-enoylazetidin-3-yl) prop-2-enoate?
(1-non-8-enoylazetidin-3-yl) prop-2-enoate has a molecular weight of 265.35 g/mol, XLogP of 2.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-non-8-enoylazetidin-3-yl) prop-2-enoate is sourced from PubChem (CID 143081135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).