2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide

C10H16N2O — CID 116677667

IUPAC2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide
SMILESCC(C(=O)NC1CC1C)=C1CNC1
InChIInChI=1S/C10H16N2O/c1-6-3-9(6)12-10(13)7(2)8-4-11-5-8/h6,9,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyVYZYTWONBBWZOL-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.43
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide

2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide (PubChem CID 116677667) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide
PubChem CID116677667
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide
SMILESCC(C(=O)NC1CC1C)=C1CNC1
InChIInChI=1S/C10H16N2O/c1-6-3-9(6)12-10(13)7(2)8-4-11-5-8/h6,9,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyVYZYTWONBBWZOL-UHFFFAOYSA-N
XLogP0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 116676299
N-cyclopropyl-2,3-dimethylbut-2-enamide
CID 19353002
N-(cyclopropylmethyl)-2,3-dimethylbut-2-enamide
CID 123444778
(E)-4-(dimethylamino)-2,3-dimethyl-N-propan-2-ylbut-2-enamide
CID 134574433
2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
CID 103188657
2-(azetidin-3-ylidene)-N-[(1-methylcyclopropyl)methyl]propanamide
CID 105696220
2-(azetidin-3-ylidene)-N-[(2,2-dimethylcyclopropyl)methyl]propanamide
CID 105752852
2-(azetidin-3-ylidene)-N-(2-ethylcyclopropyl)propanamide
CID 105753102
2-(azetidin-3-ylidene)-N-(2-propylcyclopropyl)propanamide
CID 105775422
2-(azetidin-3-ylidene)-N-(2-cyclopropylpropan-2-yl)propanamide
CID 105775771
2-(azetidin-3-ylidene)-N-[2-[cyclopropyl(ethyl)amino]ethyl]propanamide
CID 105967131
2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047676

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide (CID 116677667) is 2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide is CC(C(=O)NC1CC1C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide?
The InChIKey is VYZYTWONBBWZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-3-9(6)12-10(13)7(2)8-4-11-5-8/h6,9,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide has a molecular weight of 180.25 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-methylcyclopropyl)propanamide is sourced from PubChem (CID 116677667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).