N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride

C5H11ClN4O2 — CID 54607939

IUPACN-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride
SMILESCCC(=O)N/C(N)=N\C(N)=O.Cl
InChIInChI=1S/C5H10N4O2.ClH/c1-2-3(10)8-4(6)9-5(7)11;/h2H2,1H3,(H5,6,7,8,9,10,11);1H
InChIKeyAASKHEQUAKWTBW-UHFFFAOYSA-N
MW194.62 g/mol
LogP-0.67
Rot. Bonds1

About N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride

N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride (PubChem CID 54607939) has the molecular formula C5H11ClN4O2 and a molecular weight of 194.62 g/mol. Its IUPAC name is N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride
PubChem CID54607939
Molecular FormulaC5H11ClN4O2
Molecular Weight194.62 g/mol
Exact Mass194.06
IUPAC NameN-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride
SMILESCCC(=O)N/C(N)=N\C(N)=O.Cl
InChIInChI=1S/C5H10N4O2.ClH/c1-2-3(10)8-4(6)9-5(7)11;/h2H2,1H3,(H5,6,7,8,9,10,11);1H
InChIKeyAASKHEQUAKWTBW-UHFFFAOYSA-N
XLogP-0.67
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride?
The IUPAC name of N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride (CID 54607939) is N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride.
What is the SMILES notation for N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride?
The canonical SMILES for N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride is CCC(=O)N/C(N)=N\C(N)=O.Cl.
What is the InChIKey of N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride?
The InChIKey is AASKHEQUAKWTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2.ClH/c1-2-3(10)8-4(6)9-5(7)11;/h2H2,1H3,(H5,6,7,8,9,10,11);1H.
What are the key properties of N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride?
N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride has a molecular weight of 194.62 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide;hydrochloride is sourced from PubChem (CID 54607939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).