N,N-dimethylmethanamine;prop-2-enoic acid

C6H13NO2 — CID 87439346

IUPACN,N-dimethylmethanamine;prop-2-enoic acid
SMILESC=CC(=O)O.CN(C)C
InChIInChI=1S/C3H9N.C3H4O2/c1-4(2)3;1-2-3(4)5/h1-3H3;2H,1H2,(H,4,5)
InChIKeyZYASLVDNDXUOMI-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.43
Rot. Bonds1

About N,N-dimethylmethanamine;prop-2-enoic acid

N,N-dimethylmethanamine;prop-2-enoic acid (PubChem CID 87439346) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is N,N-dimethylmethanamine;prop-2-enoic acid.

Molecular Properties

Compound NameN,N-dimethylmethanamine;prop-2-enoic acid
PubChem CID87439346
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC NameN,N-dimethylmethanamine;prop-2-enoic acid
SMILESC=CC(=O)O.CN(C)C
InChIInChI=1S/C3H9N.C3H4O2/c1-4(2)3;1-2-3(4)5/h1-3H3;2H,1H2,(H,4,5)
InChIKeyZYASLVDNDXUOMI-UHFFFAOYSA-N
XLogP0.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.43
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

N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride
CID 87893853
methanol;prop-2-enoic acid
CID 159043362
methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
iron(2+);prop-2-enoic acid
CID 10290804
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;prop-2-enoic acid?
The IUPAC name of N,N-dimethylmethanamine;prop-2-enoic acid (CID 87439346) is N,N-dimethylmethanamine;prop-2-enoic acid.
What is the SMILES notation for N,N-dimethylmethanamine;prop-2-enoic acid?
The canonical SMILES for N,N-dimethylmethanamine;prop-2-enoic acid is C=CC(=O)O.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;prop-2-enoic acid?
The InChIKey is ZYASLVDNDXUOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C3H4O2/c1-4(2)3;1-2-3(4)5/h1-3H3;2H,1H2,(H,4,5).
What are the key properties of N,N-dimethylmethanamine;prop-2-enoic acid?
N,N-dimethylmethanamine;prop-2-enoic acid has a molecular weight of 131.17 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;prop-2-enoic acid is sourced from PubChem (CID 87439346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).