guanidine;propanamide

C4H12N4O — CID 158320139

IUPACguanidine;propanamide
SMILESCCC(N)=O.[H]N=C(N)N
InChIInChI=1S/C3H7NO.CH5N3/c1-2-3(4)5;2-1(3)4/h2H2,1H3,(H2,4,5);(H5,2,3,4)
InChIKeyGOTAIIJHCGUCBR-UHFFFAOYSA-N
MW132.17 g/mol
LogP-1.28
Rot. Bonds1

About guanidine;propanamide

guanidine;propanamide (PubChem CID 158320139) has the molecular formula C4H12N4O and a molecular weight of 132.17 g/mol. Its IUPAC name is guanidine;propanamide.

Molecular Properties

Compound Nameguanidine;propanamide
PubChem CID158320139
Molecular FormulaC4H12N4O
Molecular Weight132.17 g/mol
Exact Mass132.10
IUPAC Nameguanidine;propanamide
SMILESCCC(N)=O.[H]N=C(N)N
InChIInChI=1S/C3H7NO.CH5N3/c1-2-3(4)5;2-1(3)4/h2H2,1H3,(H2,4,5);(H5,2,3,4)
InChIKeyGOTAIIJHCGUCBR-UHFFFAOYSA-N
XLogP-1.28
TPSA118.98 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;propanamide
CID 160666730
propanamide;hydrate;hydrochloride
CID 19791604
cyclohexane;propanamide
CID 143816223
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CID 174958610
phosphoric acid;propanamide
CID 175475634
propanamide;propan-1-amine
CID 118437692
propanamide;bis(propan-1-amine)
CID 158390031
N-ethylethanamine;propanamide
CID 172821181
propanamide;propanedioic acid
CID 174420039
propanamide;thionyl dichloride
CID 161371403
acetic acid;octadecakis(guanidine)
CID 175088654
acetic acid;pentakis(guanidine)
CID 174792068

Frequently Asked Questions

What is the IUPAC name of guanidine;propanamide?
The IUPAC name of guanidine;propanamide (CID 158320139) is guanidine;propanamide.
What is the SMILES notation for guanidine;propanamide?
The canonical SMILES for guanidine;propanamide is CCC(N)=O.[H]N=C(N)N.
What is the InChIKey of guanidine;propanamide?
The InChIKey is GOTAIIJHCGUCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.CH5N3/c1-2-3(4)5;2-1(3)4/h2H2,1H3,(H2,4,5);(H5,2,3,4).
What are the key properties of guanidine;propanamide?
guanidine;propanamide has a molecular weight of 132.17 g/mol, XLogP of -1.28, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;propanamide is sourced from PubChem (CID 158320139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).