butyl prop-2-enoate;prop-2-enamide

C10H17NO3 — CID 86584089

IUPACbutyl prop-2-enoate;prop-2-enamide
SMILESC=CC(=O)OCCCC.C=CC(N)=O
InChIInChI=1S/C7H12O2.C3H5NO/c1-3-5-6-9-7(8)4-2;1-2-3(4)5/h4H,2-3,5-6H2,1H3;2H,1H2,(H2,4,5)
InChIKeyLLDYJIZLPRYTJJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.17
Rot. Bonds5

About butyl prop-2-enoate;prop-2-enamide

butyl prop-2-enoate;prop-2-enamide (PubChem CID 86584089) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is butyl prop-2-enoate;prop-2-enamide.

Molecular Properties

Compound Namebutyl prop-2-enoate;prop-2-enamide
PubChem CID86584089
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namebutyl prop-2-enoate;prop-2-enamide
SMILESC=CC(=O)OCCCC.C=CC(N)=O
InChIInChI=1S/C7H12O2.C3H5NO/c1-3-5-6-9-7(8)4-2;1-2-3(4)5/h4H,2-3,5-6H2,1H3;2H,1H2,(H2,4,5)
InChIKeyLLDYJIZLPRYTJJ-UHFFFAOYSA-N
XLogP1.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 butyl prop-2-enoate;prop-2-enamide?
The IUPAC name of butyl prop-2-enoate;prop-2-enamide (CID 86584089) is butyl prop-2-enoate;prop-2-enamide.
What is the SMILES notation for butyl prop-2-enoate;prop-2-enamide?
The canonical SMILES for butyl prop-2-enoate;prop-2-enamide is C=CC(=O)OCCCC.C=CC(N)=O.
What is the InChIKey of butyl prop-2-enoate;prop-2-enamide?
The InChIKey is LLDYJIZLPRYTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C3H5NO/c1-3-5-6-9-7(8)4-2;1-2-3(4)5/h4H,2-3,5-6H2,1H3;2H,1H2,(H2,4,5).
What are the key properties of butyl prop-2-enoate;prop-2-enamide?
butyl prop-2-enoate;prop-2-enamide has a molecular weight of 199.25 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;prop-2-enamide is sourced from PubChem (CID 86584089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).