acetic acid;guanidine;N-methylprop-2-enamide

C7H16N4O3 — CID 174639401

IUPACacetic acid;guanidine;N-methylprop-2-enamide
SMILESC=CC(=O)NC.CC(=O)O.[H]N=C(N)N
InChIInChI=1S/C4H7NO.C2H4O2.CH5N3/c1-3-4(6)5-2;1-2(3)4;2-1(3)4/h3H,1H2,2H3,(H,5,6);1H3,(H,3,4);(H5,2,3,4)
InChIKeyFOAFBWNYDNYFHQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.15
Rot. Bonds1

About acetic acid;guanidine;N-methylprop-2-enamide

acetic acid;guanidine;N-methylprop-2-enamide (PubChem CID 174639401) has the molecular formula C7H16N4O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is acetic acid;guanidine;N-methylprop-2-enamide.

Molecular Properties

Compound Nameacetic acid;guanidine;N-methylprop-2-enamide
PubChem CID174639401
Molecular FormulaC7H16N4O3
Molecular Weight204.23 g/mol
Exact Mass204.12
IUPAC Nameacetic acid;guanidine;N-methylprop-2-enamide
SMILESC=CC(=O)NC.CC(=O)O.[H]N=C(N)N
InChIInChI=1S/C4H7NO.C2H4O2.CH5N3/c1-3-4(6)5-2;1-2(3)4;2-1(3)4/h3H,1H2,2H3,(H,5,6);1H3,(H,3,4);(H5,2,3,4)
InChIKeyFOAFBWNYDNYFHQ-UHFFFAOYSA-N
XLogP-1.15
TPSA142.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
methanol;bis(N-methylprop-2-enamide)
CID 175170531
2-hydroxyacetic acid;N-methylprop-2-enamide
CID 87472265
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757
but-1-ene;N-methylprop-2-enamide
CID 159446883
sodium;benzene;hydride;N-methylprop-2-enamide
CID 173390942
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436
acetic acid;pentakis(guanidine)
CID 174792068
acetic acid;octadecakis(guanidine)
CID 175088654
methylphosphonic acid;N-methylprop-2-enamide
CID 160712581
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805
ethylideneurea;N-methylprop-2-enamide
CID 159487096

Frequently Asked Questions

What is the IUPAC name of acetic acid;guanidine;N-methylprop-2-enamide?
The IUPAC name of acetic acid;guanidine;N-methylprop-2-enamide (CID 174639401) is acetic acid;guanidine;N-methylprop-2-enamide.
What is the SMILES notation for acetic acid;guanidine;N-methylprop-2-enamide?
The canonical SMILES for acetic acid;guanidine;N-methylprop-2-enamide is C=CC(=O)NC.CC(=O)O.[H]N=C(N)N.
What is the InChIKey of acetic acid;guanidine;N-methylprop-2-enamide?
The InChIKey is FOAFBWNYDNYFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H4O2.CH5N3/c1-3-4(6)5-2;1-2(3)4;2-1(3)4/h3H,1H2,2H3,(H,5,6);1H3,(H,3,4);(H5,2,3,4).
What are the key properties of acetic acid;guanidine;N-methylprop-2-enamide?
acetic acid;guanidine;N-methylprop-2-enamide has a molecular weight of 204.23 g/mol, XLogP of -1.15, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;guanidine;N-methylprop-2-enamide is sourced from PubChem (CID 174639401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).