2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide

C12H16N2O2 — CID 116677677

IUPAC2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C)o1)=C1CNC1
InChIInChI=1S/C12H16N2O2/c1-8-3-4-11(16-8)7-14-12(15)9(2)10-5-13-6-10/h3-4,13H,5-7H2,1-2H3,(H,14,15)
InChIKeyXRUCQHOZHBMNFA-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.12
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide

2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 116677677) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID116677677
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C)o1)=C1CNC1
InChIInChI=1S/C12H16N2O2/c1-8-3-4-11(16-8)7-14-12(15)9(2)10-5-13-6-10/h3-4,13H,5-7H2,1-2H3,(H,14,15)
InChIKeyXRUCQHOZHBMNFA-UHFFFAOYSA-N
XLogP1.12
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(5-methylfuran-2-yl)methylamino]-2-oxoacetate
CID 112617149
2-(azetidin-3-ylidene)-N-[(5-bromothiophen-2-yl)methyl]propanamide
CID 116676810
2-(1,4-diazepan-1-yl)-N-[(5-methylfuran-2-yl)methyl]-2-oxoacetamide
CID 62522873
N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429169
2-(azetidin-3-ylidene)-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 116677377
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
1-(2-fluoroethyl)-3-[(5-methylfuran-2-yl)methyl]urea
CID 25119845
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
CID 115189094
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
CID 115177813
2-[1-(aminomethyl)cyclohexyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 104678131
3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524542

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 116677677) is 2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide is CC(C(=O)NCc1ccc(C)o1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is XRUCQHOZHBMNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-3-4-11(16-8)7-14-12(15)9(2)10-5-13-6-10/h3-4,13H,5-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide?
2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 220.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 116677677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).