[1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium

C9H15N2OPr- — CID 59888063

IUPAC[1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium
SMILESC=CCC([NH-])C(=O)N(C)CC=C.[Pr]
InChIInChI=1S/C9H15N2O.Pr/c1-4-6-8(10)9(12)11(3)7-5-2;/h4-5,8,10H,1-2,6-7H2,3H3;/q-1;
InChIKeyVDWOILRKTFBWGM-UHFFFAOYSA-N
MW308.14 g/mol
LogP1.63
Rot. Bonds5

About [1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium

[1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium (PubChem CID 59888063) has the molecular formula C9H15N2OPr- and a molecular weight of 308.14 g/mol. Its IUPAC name is [1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium.

Molecular Properties

Compound Name[1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium
PubChem CID59888063
Molecular FormulaC9H15N2OPr-
Molecular Weight308.14 g/mol
Exact Mass308.03
IUPAC Name[1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium
SMILESC=CCC([NH-])C(=O)N(C)CC=C.[Pr]
InChIInChI=1S/C9H15N2O.Pr/c1-4-6-8(10)9(12)11(3)7-5-2;/h4-5,8,10H,1-2,6-7H2,3H3;/q-1;
InChIKeyVDWOILRKTFBWGM-UHFFFAOYSA-N
XLogP1.63
TPSA44.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Acetamidopent-4-enamide
CID 23273486
N-propan-2-ylpent-4-enamide
CID 53840513
2-Acetamidopent-4-enoylazanium
CID 163668073
(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide
CID 134988377
N,N-diethyl-2-isocyanopent-4-enamide
CID 135036989
N-[2-(methylamino)-2-oxoethyl]pent-4-enamide
CID 176433233
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 81774681
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 81775095
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 81775156
2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 81775182
2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 81775184
2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 81775279

Frequently Asked Questions

What is the IUPAC name of [1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium?
The IUPAC name of [1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium (CID 59888063) is [1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium.
What is the SMILES notation for [1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium?
The canonical SMILES for [1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium is C=CCC([NH-])C(=O)N(C)CC=C.[Pr].
What is the InChIKey of [1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium?
The InChIKey is VDWOILRKTFBWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O.Pr/c1-4-6-8(10)9(12)11(3)7-5-2;/h4-5,8,10H,1-2,6-7H2,3H3;/q-1;.
What are the key properties of [1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium?
[1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium has a molecular weight of 308.14 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium is sourced from PubChem (CID 59888063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).