5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide

C11H19N3O2 — CID 106236022

IUPAC5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide
SMILESCC(C(=O)NCCCCC(N)=O)=C1CNC1
InChIInChI=1S/C11H19N3O2/c1-8(9-6-13-7-9)11(16)14-5-3-2-4-10(12)15/h13H,2-7H2,1H3,(H2,12,15)(H,14,16)
InChIKeyQIKBBRFESRBLAS-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.32
Rot. Bonds6

About 5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide

5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide (PubChem CID 106236022) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide.

Molecular Properties

Compound Name5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide
PubChem CID106236022
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide
SMILESCC(C(=O)NCCCCC(N)=O)=C1CNC1
InChIInChI=1S/C11H19N3O2/c1-8(9-6-13-7-9)11(16)14-5-3-2-4-10(12)15/h13H,2-7H2,1H3,(H2,12,15)(H,14,16)
InChIKeyQIKBBRFESRBLAS-UHFFFAOYSA-N
XLogP-0.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-(5,5,5-trifluoropentyl)propanamide
CID 113551262
6-(2-Oxo-3-propan-2-ylideneazetidin-1-yl)hexanamide
CID 57089533
5-(2-Oxo-3-propan-2-ylideneazetidin-1-yl)pentanamide
CID 70411263
N-ethyl-5-(2-methylprop-2-enoylamino)pentanamide
CID 87413358
N-methyl-5-(2-methylprop-2-enoylamino)pentanamide
CID 88902233
N-(4-aminobutyl)-5-(2-methylprop-2-enoylamino)pentanamide
CID 148540865
1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide
CID 103195246
2-(azetidin-3-ylidene)-N-hex-5-ynylpropanamide
CID 106213006
2-[1-[2-(Azetidin-3-ylidene)propanoyl]piperidin-4-yl]acetamide
CID 113550873
1-[2-(Azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide
CID 116674205
2-(azetidin-3-ylidene)-N-propylpropanamide
CID 116674216
2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide
CID 116674242

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide?
The IUPAC name of 5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide (CID 106236022) is 5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide.
What is the SMILES notation for 5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide?
The canonical SMILES for 5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide is CC(C(=O)NCCCCC(N)=O)=C1CNC1.
What is the InChIKey of 5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide?
The InChIKey is QIKBBRFESRBLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(9-6-13-7-9)11(16)14-5-3-2-4-10(12)15/h13H,2-7H2,1H3,(H2,12,15)(H,14,16).
What are the key properties of 5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide?
5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide has a molecular weight of 225.29 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-3-ylidene)propanoylamino]pentanamide is sourced from PubChem (CID 106236022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).