1-[1-(carbamoylamino)ethylidene]-3-methylurea

C5H10N4O2 — CID 123859378

IUPAC1-[1-(carbamoylamino)ethylidene]-3-methylurea
SMILESCNC(=O)N=C(C)NC(N)=O
InChIInChI=1S/C5H10N4O2/c1-3(8-4(6)10)9-5(11)7-2/h1-2H3,(H4,6,7,8,9,10,11)
InChIKeyKQUMNSXLWPZFHB-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.59
Rot. Bonds

About 1-[1-(carbamoylamino)ethylidene]-3-methylurea

1-[1-(carbamoylamino)ethylidene]-3-methylurea (PubChem CID 123859378) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1-[1-(carbamoylamino)ethylidene]-3-methylurea.

Molecular Properties

Compound Name1-[1-(carbamoylamino)ethylidene]-3-methylurea
PubChem CID123859378
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name1-[1-(carbamoylamino)ethylidene]-3-methylurea
SMILESCNC(=O)N=C(C)NC(N)=O
InChIInChI=1S/C5H10N4O2/c1-3(8-4(6)10)9-5(11)7-2/h1-2H3,(H4,6,7,8,9,10,11)
InChIKeyKQUMNSXLWPZFHB-UHFFFAOYSA-N
XLogP-0.59
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.59
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 1-[1-(carbamoylamino)ethylidene]-3-methylurea?
The IUPAC name of 1-[1-(carbamoylamino)ethylidene]-3-methylurea (CID 123859378) is 1-[1-(carbamoylamino)ethylidene]-3-methylurea.
What is the SMILES notation for 1-[1-(carbamoylamino)ethylidene]-3-methylurea?
The canonical SMILES for 1-[1-(carbamoylamino)ethylidene]-3-methylurea is CNC(=O)N=C(C)NC(N)=O.
What is the InChIKey of 1-[1-(carbamoylamino)ethylidene]-3-methylurea?
The InChIKey is KQUMNSXLWPZFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-3(8-4(6)10)9-5(11)7-2/h1-2H3,(H4,6,7,8,9,10,11).
What are the key properties of 1-[1-(carbamoylamino)ethylidene]-3-methylurea?
1-[1-(carbamoylamino)ethylidene]-3-methylurea has a molecular weight of 158.16 g/mol, XLogP of -0.59, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(carbamoylamino)ethylidene]-3-methylurea is sourced from PubChem (CID 123859378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).