2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide

C12H20N2O2 — CID 114756668

IUPAC2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
SMILESCC(C(=O)NCC1(CCO)CC1)=C1CNC1
InChIInChI=1S/C12H20N2O2/c1-9(10-6-13-7-10)11(16)14-8-12(2-3-12)4-5-15/h13,15H,2-8H2,1H3,(H,14,16)
InChIKeyBFOFPTMQKNPRFV-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.18
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide

2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide (PubChem CID 114756668) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
PubChem CID114756668
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
SMILESCC(C(=O)NCC1(CCO)CC1)=C1CNC1
InChIInChI=1S/C12H20N2O2/c1-9(10-6-13-7-10)11(16)14-8-12(2-3-12)4-5-15/h13,15H,2-8H2,1H3,(H,14,16)
InChIKeyBFOFPTMQKNPRFV-UHFFFAOYSA-N
XLogP0.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.18
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-[[3-(2-hydroxyethyl)oxetan-3-yl]methyl]-2,3-dimethylbut-2-enamide
CID 123171798
2-(azetidin-3-ylidene)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]propanamide
CID 105791362
2-(azetidin-3-ylidene)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106116770
2-(azetidin-3-ylidene)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106147919
2-(azetidin-3-ylidene)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106148177
2-(azetidin-3-ylidene)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
CID 106255464
2-(azetidin-3-ylidene)-N-(4-hydroxybutyl)propanamide
CID 106842171
2-(azetidin-3-ylidene)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 113551258
2-(azetidin-3-ylidene)-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 114125215
2-(azetidin-3-ylidene)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 114176944
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbut-2-enamide
CID 114750967
2-(azetidin-3-ylidene)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 116678289

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide (CID 114756668) is 2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide is CC(C(=O)NCC1(CCO)CC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The InChIKey is BFOFPTMQKNPRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(10-6-13-7-10)11(16)14-8-12(2-3-12)4-5-15/h13,15H,2-8H2,1H3,(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
2-(azetidin-3-ylidene)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide has a molecular weight of 224.30 g/mol, XLogP of 0.18, 5 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-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 114756668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).