2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide

C10H16N2O — CID 114617072

IUPAC2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C10H16N2O/c1-7(2)4-12-10(13)8(3)9-5-11-6-9/h11H,1,4-6H2,2-3H3,(H,12,13)
InChIKeyIBPUPDWVQLPRLK-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.60
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide

2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide (PubChem CID 114617072) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide
PubChem CID114617072
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C10H16N2O/c1-7(2)4-12-10(13)8(3)9-5-11-6-9/h11H,1,4-6H2,2-3H3,(H,12,13)
InChIKeyIBPUPDWVQLPRLK-UHFFFAOYSA-N
XLogP0.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tigloylputrescine
CID 129856314
2-(azetidin-3-ylidene)-N-butyl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550851
2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide
CID 116674607
2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116676447
2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 116676471
N-(3-aminopropyl)-2,3-dimethylbut-2-enamide
CID 17937530
N-methylmethanamine;2-methyl-N-propylprop-2-enamide
CID 21895745
N-ethyl-2-methylprop-2-enamide;N-methylmethanamine
CID 21917430
N-ethylethanamine;N-ethyl-2-methylprop-2-enamide
CID 21924705
N-ethylethanamine;2-methyl-N-propylprop-2-enamide
CID 22381544
N-ethyl-2-methylprop-2-enamide;N-propylpropan-1-amine
CID 22596636
2,3-dimethyl-N-propylbut-2-enamide
CID 88421418

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide (CID 114617072) is 2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide is C=C(C)CNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is IBPUPDWVQLPRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)4-12-10(13)8(3)9-5-11-6-9/h11H,1,4-6H2,2-3H3,(H,12,13).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 180.25 g/mol, XLogP of 0.60, 3 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-methylprop-2-enyl)propanamide is sourced from PubChem (CID 114617072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).