propyl (Z)-3-carbamoylpent-2-enoate

C9H15NO3 — CID 139808807

IUPACpropyl (Z)-3-carbamoylpent-2-enoate
SMILESCCCOC(=O)/C=C(/CC)C(N)=O
InChIInChI=1S/C9H15NO3/c1-3-5-13-8(11)6-7(4-2)9(10)12/h6H,3-5H2,1-2H3,(H2,10,12)/b7-6-
InChIKeySHRQMBBIRDIFJM-SREVYHEPSA-N
MW185.22 g/mol
LogP0.76
Rot. Bonds5

About propyl (Z)-3-carbamoylpent-2-enoate

propyl (Z)-3-carbamoylpent-2-enoate (PubChem CID 139808807) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is propyl (Z)-3-carbamoylpent-2-enoate.

Molecular Properties

Compound Namepropyl (Z)-3-carbamoylpent-2-enoate
PubChem CID139808807
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namepropyl (Z)-3-carbamoylpent-2-enoate
SMILESCCCOC(=O)/C=C(/CC)C(N)=O
InChIInChI=1S/C9H15NO3/c1-3-5-13-8(11)6-7(4-2)9(10)12/h6H,3-5H2,1-2H3,(H2,10,12)/b7-6-
InChIKeySHRQMBBIRDIFJM-SREVYHEPSA-N
XLogP0.76
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl (Z)-3-carbamoylpent-2-enoate?
The IUPAC name of propyl (Z)-3-carbamoylpent-2-enoate (CID 139808807) is propyl (Z)-3-carbamoylpent-2-enoate.
What is the SMILES notation for propyl (Z)-3-carbamoylpent-2-enoate?
The canonical SMILES for propyl (Z)-3-carbamoylpent-2-enoate is CCCOC(=O)/C=C(/CC)C(N)=O.
What is the InChIKey of propyl (Z)-3-carbamoylpent-2-enoate?
The InChIKey is SHRQMBBIRDIFJM-SREVYHEPSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-5-13-8(11)6-7(4-2)9(10)12/h6H,3-5H2,1-2H3,(H2,10,12)/b7-6-.
What are the key properties of propyl (Z)-3-carbamoylpent-2-enoate?
propyl (Z)-3-carbamoylpent-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (Z)-3-carbamoylpent-2-enoate is sourced from PubChem (CID 139808807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).