ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate

C11H20ClNO2 — CID 87469341

IUPACethyl (Z)-4-(butylamino)-5-chloropent-3-enoate
SMILESCCCCN/C(=C\CC(=O)OCC)CCl
InChIInChI=1S/C11H20ClNO2/c1-3-5-8-13-10(9-12)6-7-11(14)15-4-2/h6,13H,3-5,7-9H2,1-2H3/b10-6-
InChIKeyRMFOYNNTQYSFSP-POHAHGRESA-N
MW233.74 g/mol
LogP2.45
Rot. Bonds8

About ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate

ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate (PubChem CID 87469341) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-(butylamino)-5-chloropent-3-enoate
PubChem CID87469341
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Nameethyl (Z)-4-(butylamino)-5-chloropent-3-enoate
SMILESCCCCN/C(=C\CC(=O)OCC)CCl
InChIInChI=1S/C11H20ClNO2/c1-3-5-8-13-10(9-12)6-7-11(14)15-4-2/h6,13H,3-5,7-9H2,1-2H3/b10-6-
InChIKeyRMFOYNNTQYSFSP-POHAHGRESA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
ethyl 4-(pentanoylamino)butanoate
CID 60654722
diethyl 2-[(2-chloroacetyl)amino]pent-2-enedioate
CID 71318493
1-chloropentane;3-ethoxy-3-oxopropanoic acid
CID 174303485
ethyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
CID 62013172
ethyl 2-chloroacetate
CID 7751
butan-1-amine;N-butylpentanamide;ethanol;ethyl pentanoate
CID 159880902
ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62026762
butylcarbamic acid
CID 3026651
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
ethyl 2-(pentanoylamino)acetate
CID 4279931
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate?
The IUPAC name of ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate (CID 87469341) is ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate.
What is the SMILES notation for ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate?
The canonical SMILES for ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate is CCCCN/C(=C\CC(=O)OCC)CCl.
What is the InChIKey of ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate?
The InChIKey is RMFOYNNTQYSFSP-POHAHGRESA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-3-5-8-13-10(9-12)6-7-11(14)15-4-2/h6,13H,3-5,7-9H2,1-2H3/b10-6-.
What are the key properties of ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate?
ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate has a molecular weight of 233.74 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-(butylamino)-5-chloropent-3-enoate is sourced from PubChem (CID 87469341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).