butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate

C17H26N2O5 — CID 88702788

IUPACbutyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(C)C(=O)OCCC#N.C=CC(=O)OCCCC
InChIInChI=1S/C10H14N2O3.C7H12O2/c1-4-8(13)12-10(2,3)9(14)15-7-5-6-11;1-3-5-6-9-7(8)4-2/h4H,1,5,7H2,2-3H3,(H,12,13);4H,2-3,5-6H2,1H3
InChIKeyFFCLPDFFGXAMCT-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.04
Rot. Bonds9

About butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate

butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate (PubChem CID 88702788) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Namebutyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate
PubChem CID88702788
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Namebutyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(C)C(=O)OCCC#N.C=CC(=O)OCCCC
InChIInChI=1S/C10H14N2O3.C7H12O2/c1-4-8(13)12-10(2,3)9(14)15-7-5-6-11;1-3-5-6-9-7(8)4-2/h4H,1,5,7H2,2-3H3,(H,12,13);4H,2-3,5-6H2,1H3
InChIKeyFFCLPDFFGXAMCT-UHFFFAOYSA-N
XLogP2.04
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The IUPAC name of butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate (CID 88702788) is butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate.
What is the SMILES notation for butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The canonical SMILES for butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate is C=CC(=O)NC(C)(C)C(=O)OCCC#N.C=CC(=O)OCCCC.
What is the InChIKey of butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The InChIKey is FFCLPDFFGXAMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.C7H12O2/c1-4-8(13)12-10(2,3)9(14)15-7-5-6-11;1-3-5-6-9-7(8)4-2/h4H,1,5,7H2,2-3H3,(H,12,13);4H,2-3,5-6H2,1H3.
What are the key properties of butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate?
butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate has a molecular weight of 338.40 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;2-cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 88702788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).