3-formamidopropyl 2-methylprop-2-enoate

C8H13NO3 — CID 23173067

IUPAC3-formamidopropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNC=O
InChIInChI=1S/C8H13NO3/c1-7(2)8(11)12-5-3-4-9-6-10/h6H,1,3-5H2,2H3,(H,9,10)
InChIKeyYYEGSFINQCQFOX-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.24
Rot. Bonds6

About 3-formamidopropyl 2-methylprop-2-enoate

3-formamidopropyl 2-methylprop-2-enoate (PubChem CID 23173067) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-formamidopropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-formamidopropyl 2-methylprop-2-enoate
PubChem CID23173067
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-formamidopropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNC=O
InChIInChI=1S/C8H13NO3/c1-7(2)8(11)12-5-3-4-9-6-10/h6H,1,3-5H2,2H3,(H,9,10)
InChIKeyYYEGSFINQCQFOX-UHFFFAOYSA-N
XLogP0.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-formamidopropyl 2-methylprop-2-enoate?
The IUPAC name of 3-formamidopropyl 2-methylprop-2-enoate (CID 23173067) is 3-formamidopropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-formamidopropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-formamidopropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCNC=O.
What is the InChIKey of 3-formamidopropyl 2-methylprop-2-enoate?
The InChIKey is YYEGSFINQCQFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-7(2)8(11)12-5-3-4-9-6-10/h6H,1,3-5H2,2H3,(H,9,10).
What are the key properties of 3-formamidopropyl 2-methylprop-2-enoate?
3-formamidopropyl 2-methylprop-2-enoate has a molecular weight of 171.20 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamidopropyl 2-methylprop-2-enoate is sourced from PubChem (CID 23173067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).