2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen

C9H20N2O — CID 177014727

IUPAC2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen
SMILESC=C(CN1CCC1)C(N)=O.CC.[H][H]
InChIInChI=1S/C7H12N2O.C2H6.H2/c1-6(7(8)10)5-9-3-2-4-9;1-2;/h1-5H2,(H2,8,10);1-2H3;1H
InChIKeyUJHMTZSBFBMNRR-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.01
Rot. Bonds3

About 2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen

2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen (PubChem CID 177014727) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen
PubChem CID177014727
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen
SMILESC=C(CN1CCC1)C(N)=O.CC.[H][H]
InChIInChI=1S/C7H12N2O.C2H6.H2/c1-6(7(8)10)5-9-3-2-4-9;1-2;/h1-5H2,(H2,8,10);1-2H3;1H
InChIKeyUJHMTZSBFBMNRR-UHFFFAOYSA-N
XLogP1.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dimethylaminomethylacryl-amide
CID 18005906
Methacrylamide propyltrimethylammonium chloride
CID 22325939
Diethylaminomethylacrylamide
CID 23365094
2-[(3-fluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623407
2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623971
2-[(3,3-Difluoroazetidin-1-yl)methyl]prop-2-enamide;ethane
CID 177014891
2-[(3,3-Difluoroazetidin-1-yl)methyl]prop-2-enamide
CID 177014892
2-Propenamide, 2-[(diethylamino)methyl]-N,N-diethyl-
CID 551739
2-[(Dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide
CID 18005905
2-Carbamoylprop-2-enyl(trimethyl)azanium
CID 18760411
Ethyl-dimethyl-propylazanium;2-methylprop-2-enamide
CID 19752027
2-Methylprop-2-enamide;trimethyl(propyl)azanium
CID 21478002

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen?
The IUPAC name of 2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen (CID 177014727) is 2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen?
The canonical SMILES for 2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen is C=C(CN1CCC1)C(N)=O.CC.[H][H].
What is the InChIKey of 2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen?
The InChIKey is UJHMTZSBFBMNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C2H6.H2/c1-6(7(8)10)5-9-3-2-4-9;1-2;/h1-5H2,(H2,8,10);1-2H3;1H.
What are the key properties of 2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen?
2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen has a molecular weight of 172.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen is sourced from PubChem (CID 177014727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).