methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate

C10H19NO2 — CID 103235094

IUPACmethyl (Z)-2-ethyl-4-(propylamino)but-2-enoate
SMILESCCCNC/C=C(/CC)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-4-7-11-8-6-9(5-2)10(12)13-3/h6,11H,4-5,7-8H2,1-3H3/b9-6-
InChIKeyIFFWRDHBTMJPSA-TWGQIWQCSA-N
MW185.27 g/mol
LogP1.50
Rot. Bonds6

About methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate

methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate (PubChem CID 103235094) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethyl-4-(propylamino)but-2-enoate
PubChem CID103235094
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl (Z)-2-ethyl-4-(propylamino)but-2-enoate
SMILESCCCNC/C=C(/CC)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-4-7-11-8-6-9(5-2)10(12)13-3/h6,11H,4-5,7-8H2,1-3H3/b9-6-
InChIKeyIFFWRDHBTMJPSA-TWGQIWQCSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.50
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 methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate?
The IUPAC name of methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate (CID 103235094) is methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate?
The canonical SMILES for methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate is CCCNC/C=C(/CC)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate?
The InChIKey is IFFWRDHBTMJPSA-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-11-8-6-9(5-2)10(12)13-3/h6,11H,4-5,7-8H2,1-3H3/b9-6-.
What are the key properties of methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate?
methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate is sourced from PubChem (CID 103235094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).