N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride

C8H17ClN2O3 — CID 174906754

IUPACN-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride
SMILESC=CC(=O)O.C=CC(N)=O.CNC.Cl
InChIInChI=1S/C3H5NO.C3H4O2.C2H7N.ClH/c2*1-2-3(4)5;1-3-2;/h2H,1H2,(H2,4,5);2H,1H2,(H,4,5);3H,1-2H3;1H
InChIKeyARTVCNLQAHCMRU-UHFFFAOYSA-N
MW224.69 g/mol
LogP0.17
Rot. Bonds2

About N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride

N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride (PubChem CID 174906754) has the molecular formula C8H17ClN2O3 and a molecular weight of 224.69 g/mol. Its IUPAC name is N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride.

Molecular Properties

Compound NameN-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride
PubChem CID174906754
Molecular FormulaC8H17ClN2O3
Molecular Weight224.69 g/mol
Exact Mass224.09
IUPAC NameN-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride
SMILESC=CC(=O)O.C=CC(N)=O.CNC.Cl
InChIInChI=1S/C3H5NO.C3H4O2.C2H7N.ClH/c2*1-2-3(4)5;1-3-2;/h2H,1H2,(H2,4,5);2H,1H2,(H,4,5);3H,1-2H3;1H
InChIKeyARTVCNLQAHCMRU-UHFFFAOYSA-N
XLogP0.17
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid
CID 157463819
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
2-aminoprop-2-enamide;prop-2-enoic acid
CID 173105989
(E)-but-2-enedioic acid;bis(prop-2-enamide)
CID 174486648
N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride
CID 173494842
disodium;but-2-enedioic acid;hydride;prop-2-enamide;prop-2-enoic acid
CID 173333489
methanamine;prop-2-enamide;hydrate
CID 174696935
ethene-1,1-diol;prop-2-enamide
CID 174658864
carbamic acid;prop-2-enoic acid;hydrate
CID 174529556
methylalumane;tris(prop-2-enoic acid);hydrochloride
CID 173359829
acetamide;prop-2-enamide
CID 158566181

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride?
The IUPAC name of N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride (CID 174906754) is N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride.
What is the SMILES notation for N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride?
The canonical SMILES for N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride is C=CC(=O)O.C=CC(N)=O.CNC.Cl.
What is the InChIKey of N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride?
The InChIKey is ARTVCNLQAHCMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C3H4O2.C2H7N.ClH/c2*1-2-3(4)5;1-3-2;/h2H,1H2,(H2,4,5);2H,1H2,(H,4,5);3H,1-2H3;1H.
What are the key properties of N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride?
N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride is sourced from PubChem (CID 174906754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).