actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide

C8H14AcNO2- — CID 59557417

IUPACactinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide
SMILESCCOC(=O)C=C([NH-])C(C)C.[Ac]
InChIInChI=1S/C8H15NO2.Ac/c1-4-11-8(10)5-7(9)6(2)3;/h5-6H,4H2,1-3H3,(H2,9,10);/p-1
InChIKeyUUGQMXHPULJNEL-UHFFFAOYSA-M
MW383.21 g/mol
LogP2.14
Rot. Bonds3

About actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide

actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide (PubChem CID 59557417) has the molecular formula C8H14AcNO2- and a molecular weight of 383.21 g/mol. Its IUPAC name is actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide.

Molecular Properties

Compound Nameactinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide
PubChem CID59557417
Molecular FormulaC8H14AcNO2-
Molecular Weight383.21 g/mol
Exact Mass383.13
IUPAC Nameactinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide
SMILESCCOC(=O)C=C([NH-])C(C)C.[Ac]
InChIInChI=1S/C8H15NO2.Ac/c1-4-11-8(10)5-7(9)6(2)3;/h5-6H,4H2,1-3H3,(H2,9,10);/p-1
InChIKeyUUGQMXHPULJNEL-UHFFFAOYSA-M
XLogP2.14
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butenoic acid, 3-amino-, ethyl ester, (2Z)-
CID 643756
Ethyl 3-aminocrotonate
CID 637551
2-Butenoic acid, 3-amino-, ethyl ester
CID 95308
Propyl 3-aminobut-2-enoate
CID 12706963
Ethyl 3-amino-3-cyclopropylprop-2-enoate
CID 15812154
Methyl 3-aminopent-2-enoate
CID 57860398
2-Butenoic acid, 3-amino-, 2-methylpropyl ester
CID 85381411
methyl (2Z)-3-amino-2-pentenoate
CID 21343688
Diethyl 3-aminoglutaconate
CID 593492
Isobutyl (E)-3-amino-2-butenoate
CID 11051914
ethyl (E)-3-acetamido-4-methylpent-2-enoate
CID 11356091
ethyl (2E)-3-amino-4-methyl-2-pentenoate
CID 11579171

Frequently Asked Questions

What is the IUPAC name of actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide?
The IUPAC name of actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide (CID 59557417) is actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide.
What is the SMILES notation for actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide?
The canonical SMILES for actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide is CCOC(=O)C=C([NH-])C(C)C.[Ac].
What is the InChIKey of actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide?
The InChIKey is UUGQMXHPULJNEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15NO2.Ac/c1-4-11-8(10)5-7(9)6(2)3;/h5-6H,4H2,1-3H3,(H2,9,10);/p-1.
What are the key properties of actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide?
actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide has a molecular weight of 383.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(1-ethoxy-4-methyl-1-oxopent-2-en-3-yl)azanide is sourced from PubChem (CID 59557417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).