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

C5H10N4O2 — CID 5477950

IUPACN-[(Z)-N'-carbamoylcarbamimidoyl]propanamide
SMILESCCC(=O)N/C(N)=N\C(N)=O
InChIInChI=1S/C5H10N4O2/c1-2-3(10)8-4(6)9-5(7)11/h2H2,1H3,(H5,6,7,8,9,10,11)
InChIKeyWUOLDROGFXAIPZ-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.09
Rot. Bonds1

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

N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide (PubChem CID 5477950) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide.

Molecular Properties

Compound NameN-[(Z)-N'-carbamoylcarbamimidoyl]propanamide
PubChem CID5477950
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC NameN-[(Z)-N'-carbamoylcarbamimidoyl]propanamide
SMILESCCC(=O)N/C(N)=N\C(N)=O
InChIInChI=1S/C5H10N4O2/c1-2-3(10)8-4(6)9-5(7)11/h2H2,1H3,(H5,6,7,8,9,10,11)
InChIKeyWUOLDROGFXAIPZ-UHFFFAOYSA-N
XLogP-1.09
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.09
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?
The IUPAC name of N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide (CID 5477950) is N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide.
What is the SMILES notation for N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide?
The canonical SMILES for N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide is CCC(=O)N/C(N)=N\C(N)=O.
What is the InChIKey of N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide?
The InChIKey is WUOLDROGFXAIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-2-3(10)8-4(6)9-5(7)11/h2H2,1H3,(H5,6,7,8,9,10,11).
What are the key properties of N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide?
N-[(Z)-N'-carbamoylcarbamimidoyl]propanamide has a molecular weight of 158.16 g/mol, XLogP of -1.09, 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 is sourced from PubChem (CID 5477950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).