1-(dimethylamino)propyl prop-2-enoate;hydrofluoride

C8H16FNO2 — CID 173036316

IUPAC1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
SMILESC=CC(=O)OC(CC)N(C)C.F
InChIInChI=1S/C8H15NO2.FH/c1-5-7(9(3)4)11-8(10)6-2;/h6-7H,2,5H2,1,3-4H3;1H
InChIKeyIOMWQNGVZCXGQU-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.17
Rot. Bonds4

About 1-(dimethylamino)propyl prop-2-enoate;hydrofluoride

1-(dimethylamino)propyl prop-2-enoate;hydrofluoride (PubChem CID 173036316) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-(dimethylamino)propyl prop-2-enoate;hydrofluoride.

Molecular Properties

Compound Name1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
PubChem CID173036316
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
SMILESC=CC(=O)OC(CC)N(C)C.F
InChIInChI=1S/C8H15NO2.FH/c1-5-7(9(3)4)11-8(10)6-2;/h6-7H,2,5H2,1,3-4H3;1H
InChIKeyIOMWQNGVZCXGQU-UHFFFAOYSA-N
XLogP1.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)decyl prop-2-enoate
CID 88815695
CID 172734708
CID 172734708
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
1-aminopropyl prop-2-enoate;butane
CID 87190109
[1-(dimethylamino)-2-ethoxy-2-oxoethyl] prop-2-enoate
CID 174992318
1-(dimethylamino)prop-2-enyl prop-2-enoate
CID 87262615
1-aminopropyl prop-2-enoate;2-(dimethylamino)propanoic acid
CID 174713599
[ethoxy(methoxy)methyl] prop-2-enoate
CID 87919387
trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride
CID 87225118
[2-(dimethylamino)-2-ethoxyethyl] prop-2-enoate
CID 58203187
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-bromobutyl prop-2-enoate;N,N-dimethylmethanamine
CID 87224852

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propyl prop-2-enoate;hydrofluoride?
The IUPAC name of 1-(dimethylamino)propyl prop-2-enoate;hydrofluoride (CID 173036316) is 1-(dimethylamino)propyl prop-2-enoate;hydrofluoride.
What is the SMILES notation for 1-(dimethylamino)propyl prop-2-enoate;hydrofluoride?
The canonical SMILES for 1-(dimethylamino)propyl prop-2-enoate;hydrofluoride is C=CC(=O)OC(CC)N(C)C.F.
What is the InChIKey of 1-(dimethylamino)propyl prop-2-enoate;hydrofluoride?
The InChIKey is IOMWQNGVZCXGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.FH/c1-5-7(9(3)4)11-8(10)6-2;/h6-7H,2,5H2,1,3-4H3;1H.
What are the key properties of 1-(dimethylamino)propyl prop-2-enoate;hydrofluoride?
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride has a molecular weight of 177.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propyl prop-2-enoate;hydrofluoride is sourced from PubChem (CID 173036316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).