3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate

C11H19NO3 — CID 144680202

IUPAC3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate
SMILESCCC(O)CCOC(/C=C\C(C)=O)=N\C
InChIInChI=1S/C11H19NO3/c1-4-10(14)7-8-15-11(12-3)6-5-9(2)13/h5-6,10,14H,4,7-8H2,1-3H3/b6-5-,12-11-
InChIKeyWYRIAESRVWLKIH-KSIKAEMPSA-N
MW213.28 g/mol
LogP1.34
Rot. Bonds6

About 3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate

3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate (PubChem CID 144680202) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate.

Molecular Properties

Compound Name3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate
PubChem CID144680202
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate
SMILESCCC(O)CCOC(/C=C\C(C)=O)=N\C
InChIInChI=1S/C11H19NO3/c1-4-10(14)7-8-15-11(12-3)6-5-9(2)13/h5-6,10,14H,4,7-8H2,1-3H3/b6-5-,12-11-
InChIKeyWYRIAESRVWLKIH-KSIKAEMPSA-N
XLogP1.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate?
The IUPAC name of 3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate (CID 144680202) is 3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate.
What is the SMILES notation for 3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate?
The canonical SMILES for 3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate is CCC(O)CCOC(/C=C\C(C)=O)=N\C.
What is the InChIKey of 3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate?
The InChIKey is WYRIAESRVWLKIH-KSIKAEMPSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-10(14)7-8-15-11(12-3)6-5-9(2)13/h5-6,10,14H,4,7-8H2,1-3H3/b6-5-,12-11-.
What are the key properties of 3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate?
3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate has a molecular weight of 213.28 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypentyl (Z)-N-methyl-4-oxopent-2-enimidate is sourced from PubChem (CID 144680202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).