2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide

C11H16N4O — CID 116679101

IUPAC2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1ncc[nH]1)=C1CNC1
InChIInChI=1S/C11H16N4O/c1-8(9-6-12-7-9)11(16)15-3-2-10-13-4-5-14-10/h4-5,12H,2-3,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyFYPZKOOTTAIPNY-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.01
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide

2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide (PubChem CID 116679101) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
PubChem CID116679101
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1ncc[nH]1)=C1CNC1
InChIInChI=1S/C11H16N4O/c1-8(9-6-12-7-9)11(16)15-3-2-10-13-4-5-14-10/h4-5,12H,2-3,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyFYPZKOOTTAIPNY-UHFFFAOYSA-N
XLogP-0.01
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide
CID 116674274
N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 115741079
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
N-[2-(1H-imidazol-2-yl)ethyl]-2-methylthiolane-2-carboxamide
CID 115702011
2-[2-[2-(azetidin-3-ylidene)propanoylamino]ethyl]benzoic acid
CID 116678028
6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
CID 115649646
2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 116677546
2-(azetidin-3-ylidene)-N-(2-cyanoethyl)propanamide
CID 116674760
2-(4-acetamidophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115620125
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981293
1-cyclopropyl-3-[2-(1H-imidazol-2-yl)ethyl]thiourea
CID 116510338

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide (CID 116679101) is 2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide is CC(C(=O)NCCc1ncc[nH]1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
The InChIKey is FYPZKOOTTAIPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8(9-6-12-7-9)11(16)15-3-2-10-13-4-5-14-10/h4-5,12H,2-3,6-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide has a molecular weight of 220.28 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 116679101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).