N-methylmethanamine;methyl prop-2-enoate

C6H13NO2 — CID 160519545

IUPACN-methylmethanamine;methyl prop-2-enoate
SMILESC=CC(=O)OC.CNC
InChIInChI=1S/C4H6O2.C2H7N/c1-3-4(5)6-2;1-3-2/h3H,1H2,2H3;3H,1-2H3
InChIKeyQUCCGWDQLOVLGP-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.18
Rot. Bonds1

About N-methylmethanamine;methyl prop-2-enoate

N-methylmethanamine;methyl prop-2-enoate (PubChem CID 160519545) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is N-methylmethanamine;methyl prop-2-enoate.

Molecular Properties

Compound NameN-methylmethanamine;methyl prop-2-enoate
PubChem CID160519545
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC NameN-methylmethanamine;methyl prop-2-enoate
SMILESC=CC(=O)OC.CNC
InChIInChI=1S/C4H6O2.C2H7N/c1-3-4(5)6-2;1-3-2/h3H,1H2,2H3;3H,1-2H3
InChIKeyQUCCGWDQLOVLGP-UHFFFAOYSA-N
XLogP0.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.18
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

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methyl prop-2-enoate;phosphoric acid
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CID 174897686
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CID 174506127
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CID 175762695
ethenoxyethene;methyl prop-2-enoate
CID 159119515
chloroform;methyl prop-2-enoate
CID 123529405
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CID 157183952
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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;methyl prop-2-enoate?
The IUPAC name of N-methylmethanamine;methyl prop-2-enoate (CID 160519545) is N-methylmethanamine;methyl prop-2-enoate.
What is the SMILES notation for N-methylmethanamine;methyl prop-2-enoate?
The canonical SMILES for N-methylmethanamine;methyl prop-2-enoate is C=CC(=O)OC.CNC.
What is the InChIKey of N-methylmethanamine;methyl prop-2-enoate?
The InChIKey is QUCCGWDQLOVLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H7N/c1-3-4(5)6-2;1-3-2/h3H,1H2,2H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;methyl prop-2-enoate?
N-methylmethanamine;methyl prop-2-enoate has a molecular weight of 131.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;methyl prop-2-enoate is sourced from PubChem (CID 160519545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).