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

C16H26N2O4 — CID 143081134

IUPACformamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate
SMILESC=CCCCCCCC(=O)N1CC(OC(=O)C=C)C1.NC=O
InChIInChI=1S/C15H23NO3.CH3NO/c1-3-5-6-7-8-9-10-14(17)16-11-13(12-16)19-15(18)4-2;2-1-3/h3-4,13H,1-2,5-12H2;1H,(H2,2,3)
InChIKeyDLPLOEUUAXMVIC-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.55
Rot. Bonds9

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

formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate (PubChem CID 143081134) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate.

Molecular Properties

Compound Nameformamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate
PubChem CID143081134
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nameformamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate
SMILESC=CCCCCCCC(=O)N1CC(OC(=O)C=C)C1.NC=O
InChIInChI=1S/C15H23NO3.CH3NO/c1-3-5-6-7-8-9-10-14(17)16-11-13(12-16)19-15(18)4-2;2-1-3/h3-4,13H,1-2,5-12H2;1H,(H2,2,3)
InChIKeyDLPLOEUUAXMVIC-UHFFFAOYSA-N
XLogP1.55
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-(Undec-10-enoylamino)ethyl prop-2-enoate
CID 58913214
1-(Non-8-enoylamino)propan-2-yl prop-2-enoate
CID 143060920
(1-Non-8-enoylazetidin-3-yl) prop-2-enoate
CID 143081135

Frequently Asked Questions

What is the IUPAC name of formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate?
The IUPAC name of formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate (CID 143081134) is formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate.
What is the SMILES notation for formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate?
The canonical SMILES for formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate is C=CCCCCCCC(=O)N1CC(OC(=O)C=C)C1.NC=O.
What is the InChIKey of formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate?
The InChIKey is DLPLOEUUAXMVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.CH3NO/c1-3-5-6-7-8-9-10-14(17)16-11-13(12-16)19-15(18)4-2;2-1-3/h3-4,13H,1-2,5-12H2;1H,(H2,2,3).
What are the key properties of formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate?
formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate has a molecular weight of 310.39 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;(1-non-8-enoylazetidin-3-yl) prop-2-enoate is sourced from PubChem (CID 143081134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).