2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide

C10H14N4O — CID 116678252

IUPAC2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cnc[nH]1)=C1CNC1
InChIInChI=1S/C10H14N4O/c1-7(8-2-11-3-8)10(15)13-5-9-4-12-6-14-9/h4,6,11H,2-3,5H2,1H3,(H,12,14)(H,13,15)
InChIKeyBRUVCXDKHXSREM-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.05
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide

2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide (PubChem CID 116678252) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide
PubChem CID116678252
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cnc[nH]1)=C1CNC1
InChIInChI=1S/C10H14N4O/c1-7(8-2-11-3-8)10(15)13-5-9-4-12-6-14-9/h4,6,11H,2-3,5H2,1H3,(H,12,14)(H,13,15)
InChIKeyBRUVCXDKHXSREM-UHFFFAOYSA-N
XLogP-0.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.05
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

N-(1H-imidazol-5-ylmethyl)-2-methylpent-2-enamide
CID 77075633
2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
CID 116674617
N-(1H-imidazol-5-ylmethyl)but-2-enamide
CID 77075616
1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079
N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
CID 113258424
3-(1H-imidazol-5-ylmethylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821309
2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 116677677
N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 104628648
(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide
CID 79014032
2-(azetidin-3-ylidene)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 116679101
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
3-[[2-(azetidin-3-ylidene)propanoylamino]methyl]pentanoic acid
CID 116678526

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide (CID 116678252) is 2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide is CC(C(=O)NCc1cnc[nH]1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide?
The InChIKey is BRUVCXDKHXSREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(8-2-11-3-8)10(15)13-5-9-4-12-6-14-9/h4,6,11H,2-3,5H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide?
2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide has a molecular weight of 206.25 g/mol, XLogP of -0.05, 3 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-(1H-imidazol-5-ylmethyl)propanamide is sourced from PubChem (CID 116678252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).