methyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate

C11H16N2O4 — CID 146260497

IUPACmethyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate
SMILES[H]/N=C(/C=C\C(=O)NC1CCCCO1)C(=O)OC
InChIInChI=1S/C11H16N2O4/c1-16-11(15)8(12)5-6-9(14)13-10-4-2-3-7-17-10/h5-6,10,12H,2-4,7H2,1H3,(H,13,14)/b6-5-,12-8-
InChIKeyBNWNMUNIIQWNNR-BHLOCZDVSA-N
MW240.26 g/mol
LogP0.38
Rot. Bonds4

About methyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate

methyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate (PubChem CID 146260497) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate
PubChem CID146260497
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate
SMILES[H]/N=C(/C=C\C(=O)NC1CCCCO1)C(=O)OC
InChIInChI=1S/C11H16N2O4/c1-16-11(15)8(12)5-6-9(14)13-10-4-2-3-7-17-10/h5-6,10,12H,2-4,7H2,1H3,(H,13,14)/b6-5-,12-8-
InChIKeyBNWNMUNIIQWNNR-BHLOCZDVSA-N
XLogP0.38
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate?
The IUPAC name of methyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate (CID 146260497) is methyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate.
What is the SMILES notation for methyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate?
The canonical SMILES for methyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate is [H]/N=C(/C=C\C(=O)NC1CCCCO1)C(=O)OC.
What is the InChIKey of methyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate?
The InChIKey is BNWNMUNIIQWNNR-BHLOCZDVSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-16-11(15)8(12)5-6-9(14)13-10-4-2-3-7-17-10/h5-6,10,12H,2-4,7H2,1H3,(H,13,14)/b6-5-,12-8-.
What are the key properties of methyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate?
methyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate has a molecular weight of 240.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-imino-5-(oxan-2-ylamino)-5-oxopent-3-enoate is sourced from PubChem (CID 146260497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).