azane;propyl 2-methylprop-2-enoate

C7H15NO2 — CID 172812841

IUPACazane;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.N
InChIInChI=1S/C7H12O2.H3N/c1-4-5-9-7(8)6(2)3;/h2,4-5H2,1,3H3;1H3
InChIKeySKMFHYFMELRVHT-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.68
Rot. Bonds3

About azane;propyl 2-methylprop-2-enoate

azane;propyl 2-methylprop-2-enoate (PubChem CID 172812841) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is azane;propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameazane;propyl 2-methylprop-2-enoate
PubChem CID172812841
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameazane;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.N
InChIInChI=1S/C7H12O2.H3N/c1-4-5-9-7(8)6(2)3;/h2,4-5H2,1,3H3;1H3
InChIKeySKMFHYFMELRVHT-UHFFFAOYSA-N
XLogP1.68
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
propane;propyl 2-methylprop-2-enoate;yttrium
CID 158346337
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate
CID 172705109
dimethoxy(methyl)silane;propyl 2-methylprop-2-enoate
CID 159386430
propyl 4-(2-methylprop-2-enoyloxy)butanoate
CID 157240660
oxolane;propyl 2-methylprop-2-enoate
CID 175153553
ethyl(dimethoxy)silane;propyl 2-methylprop-2-enoate
CID 158202415
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
butyl 2-methylprop-2-enoate;ethene
CID 158758814
butyl 2-methylprop-2-enoate;methane
CID 159646333
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190

Frequently Asked Questions

What is the IUPAC name of azane;propyl 2-methylprop-2-enoate?
The IUPAC name of azane;propyl 2-methylprop-2-enoate (CID 172812841) is azane;propyl 2-methylprop-2-enoate.
What is the SMILES notation for azane;propyl 2-methylprop-2-enoate?
The canonical SMILES for azane;propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC.N.
What is the InChIKey of azane;propyl 2-methylprop-2-enoate?
The InChIKey is SKMFHYFMELRVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.H3N/c1-4-5-9-7(8)6(2)3;/h2,4-5H2,1,3H3;1H3.
What are the key properties of azane;propyl 2-methylprop-2-enoate?
azane;propyl 2-methylprop-2-enoate has a molecular weight of 145.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propyl 2-methylprop-2-enoate is sourced from PubChem (CID 172812841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).