2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide

C10H18N2O2 — CID 116677655

IUPAC2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC(C)O)=C1CNC1
InChIInChI=1S/C10H18N2O2/c1-7(13)6-12(3)10(14)8(2)9-4-11-5-9/h7,11,13H,4-6H2,1-3H3
InChIKeyACXMYBXSQBNIQL-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.25
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide

2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide (PubChem CID 116677655) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide
PubChem CID116677655
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC(C)O)=C1CNC1
InChIInChI=1S/C10H18N2O2/c1-7(13)6-12(3)10(14)8(2)9-4-11-5-9/h7,11,13H,4-6H2,1-3H3
InChIKeyACXMYBXSQBNIQL-UHFFFAOYSA-N
XLogP-0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.25
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

2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 116677915
N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
CID 116674814
2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide
CID 116678391
2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 116678898
2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide
CID 116678011
2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
CID 116676657
2-[2-(azetidin-3-ylidene)propanoyl-propan-2-ylamino]acetic acid
CID 116676994
2-(azetidin-3-ylidene)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 116677920
2-(azetidin-3-ylidene)-N-(2-cyanopropyl)-N-ethylpropanamide
CID 116676646
2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
CID 116678145
2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide
CID 116678457
2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 116676180

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide (CID 116677655) is 2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide is CC(C(=O)N(C)CC(C)O)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide?
The InChIKey is ACXMYBXSQBNIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(13)6-12(3)10(14)8(2)9-4-11-5-9/h7,11,13H,4-6H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide?
2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide has a molecular weight of 198.27 g/mol, XLogP of -0.25, 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-(2-hydroxypropyl)-N-methylpropanamide is sourced from PubChem (CID 116677655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).