4-iminobutyl prop-2-enoate

C7H11NO2 — CID 57122491

IUPAC4-iminobutyl prop-2-enoate
SMILES[H]/N=C/CCCOC(=O)C=C
InChIInChI=1S/C7H11NO2/c1-2-7(9)10-6-4-3-5-8/h2,5,8H,1,3-4,6H2/b8-5+
InChIKeyCZHKZPAFUACZHW-VMPITWQZSA-N
MW141.17 g/mol
LogP1.15
Rot. Bonds5

About 4-iminobutyl prop-2-enoate

4-iminobutyl prop-2-enoate (PubChem CID 57122491) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-iminobutyl prop-2-enoate.

Molecular Properties

Compound Name4-iminobutyl prop-2-enoate
PubChem CID57122491
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-iminobutyl prop-2-enoate
SMILES[H]/N=C/CCCOC(=O)C=C
InChIInChI=1S/C7H11NO2/c1-2-7(9)10-6-4-3-5-8/h2,5,8H,1,3-4,6H2/b8-5+
InChIKeyCZHKZPAFUACZHW-VMPITWQZSA-N
XLogP1.15
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-iminopropyl prop-2-enoate
CID 152689753
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate
CID 101145209
2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid
CID 173162722
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
3-phosphanylpropyl prop-2-enoate
CID 151934369
6,6,6-trifluorohex-4-enyl prop-2-enoate
CID 175221470

Frequently Asked Questions

What is the IUPAC name of 4-iminobutyl prop-2-enoate?
The IUPAC name of 4-iminobutyl prop-2-enoate (CID 57122491) is 4-iminobutyl prop-2-enoate.
What is the SMILES notation for 4-iminobutyl prop-2-enoate?
The canonical SMILES for 4-iminobutyl prop-2-enoate is [H]/N=C/CCCOC(=O)C=C.
What is the InChIKey of 4-iminobutyl prop-2-enoate?
The InChIKey is CZHKZPAFUACZHW-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-7(9)10-6-4-3-5-8/h2,5,8H,1,3-4,6H2/b8-5+.
What are the key properties of 4-iminobutyl prop-2-enoate?
4-iminobutyl prop-2-enoate has a molecular weight of 141.17 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminobutyl prop-2-enoate is sourced from PubChem (CID 57122491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).