[5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium

C11H18NO3+ — CID 21354902

IUPAC[5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium
SMILESC=CCN(CC=C)C(=O)CCCC(=O)[OH2+]
InChIInChI=1S/C11H17NO3/c1-3-8-12(9-4-2)10(13)6-5-7-11(14)15/h3-4H,1-2,5-9H2,(H,14,15)/p+1
InChIKeyYBBCHLFRYSBHLA-UHFFFAOYSA-O
MW212.27 g/mol
LogP0.61
Rot. Bonds8

About [5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium

[5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium (PubChem CID 21354902) has the molecular formula C11H18NO3+ and a molecular weight of 212.27 g/mol. Its IUPAC name is [5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium.

Molecular Properties

Compound Name[5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium
PubChem CID21354902
Molecular FormulaC11H18NO3+
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name[5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium
SMILESC=CCN(CC=C)C(=O)CCCC(=O)[OH2+]
InChIInChI=1S/C11H17NO3/c1-3-8-12(9-4-2)10(13)6-5-7-11(14)15/h3-4H,1-2,5-9H2,(H,14,15)/p+1
InChIKeyYBBCHLFRYSBHLA-UHFFFAOYSA-O
XLogP0.61
TPSA60.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium 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

6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid
CID 43529248
10-oxo-N,N-bis(prop-2-enyl)undecanamide
CID 170397182
10-oxo-N,N-bis(prop-2-enyl)decanamide
CID 143467554
4-oxo-N,N-bis(prop-2-enyl)butanamide
CID 173364816
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
2-fluoro-N,N-bis(prop-2-enyl)acetamide
CID 176847586
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
CID 88512843
2-[dodecanoyl(prop-2-enyl)amino]acetic acid
CID 79264275
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
2-[(2-methylpropan-2-yl)oxy]-N,N-bis(prop-2-enyl)acetamide
CID 112604821
N-(2-hydroxyethyl)-N-prop-2-enylpent-4-enamide
CID 115775480

Frequently Asked Questions

What is the IUPAC name of [5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium?
The IUPAC name of [5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium (CID 21354902) is [5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium.
What is the SMILES notation for [5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium?
The canonical SMILES for [5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium is C=CCN(CC=C)C(=O)CCCC(=O)[OH2+].
What is the InChIKey of [5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium?
The InChIKey is YBBCHLFRYSBHLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17NO3/c1-3-8-12(9-4-2)10(13)6-5-7-11(14)15/h3-4H,1-2,5-9H2,(H,14,15)/p+1.
What are the key properties of [5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium?
[5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium has a molecular weight of 212.27 g/mol, XLogP of 0.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium is sourced from PubChem (CID 21354902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).