N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane

C9H20N2O — CID 164538993

IUPACN-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane
SMILESC=CC(=O)NC1CNC1.CCC.[H][H]
InChIInChI=1S/C6H10N2O.C3H8.H2/c1-2-6(9)8-5-3-7-4-5;1-3-2;/h2,5,7H,1,3-4H2,(H,8,9);3H2,1-2H3;1H
InChIKeySOTWIZVNCHCMKZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.92
Rot. Bonds2

About N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane

N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane (PubChem CID 164538993) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane.

Molecular Properties

Compound NameN-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane
PubChem CID164538993
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane
SMILESC=CC(=O)NC1CNC1.CCC.[H][H]
InChIInChI=1S/C6H10N2O.C3H8.H2/c1-2-6(9)8-5-3-7-4-5;1-3-2;/h2,5,7H,1,3-4H2,(H,8,9);3H2,1-2H3;1H
InChIKeySOTWIZVNCHCMKZ-UHFFFAOYSA-N
XLogP0.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.92
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

N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
N-[2-(diethylamino)ethyl]acrylamide monohydrochloride
CID 3018509
Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)amino]-, chloride
CID 9855713
N-propan-2-ylprop-2-enamide;prop-2-enamide
CID 10375130
(2-Acrylamidopropyl)trimethylammonium chloride
CID 11820325
N,N'-propylenebisacrylamide
CID 14877244
2-Dimethylaminopropyl acrylamide
CID 21707846
2-(Acryloylamino)-N,N,N-triethylethan-1-aminium chloride
CID 21902338
2-(Acryloylamino)-N,N,N-triethylethan-1-aminium iodide
CID 53431715
N-(2-aminoisopropyl)acrylamide
CID 63733003
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
N,N-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide
CID 88641782

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane?
The IUPAC name of N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane (CID 164538993) is N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane.
What is the SMILES notation for N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane?
The canonical SMILES for N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane is C=CC(=O)NC1CNC1.CCC.[H][H].
What is the InChIKey of N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane?
The InChIKey is SOTWIZVNCHCMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C3H8.H2/c1-2-6(9)8-5-3-7-4-5;1-3-2;/h2,5,7H,1,3-4H2,(H,8,9);3H2,1-2H3;1H.
What are the key properties of N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane?
N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane has a molecular weight of 172.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)prop-2-enamide;molecular hydrogen;propane is sourced from PubChem (CID 164538993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).