1-(carbamoylamino)-3-methylideneurea

C3H6N4O2 — CID 89216716

IUPAC1-(carbamoylamino)-3-methylideneurea
SMILESC=NC(=O)NNC(N)=O
InChIInChI=1S/C3H6N4O2/c1-5-3(9)7-6-2(4)8/h1H2,(H,7,9)(H3,4,6,8)
InChIKeyUINZTXOAABUOEC-UHFFFAOYSA-N
MW130.11 g/mol
LogP-1.02
Rot. Bonds

About 1-(carbamoylamino)-3-methylideneurea

1-(carbamoylamino)-3-methylideneurea (PubChem CID 89216716) has the molecular formula C3H6N4O2 and a molecular weight of 130.11 g/mol. Its IUPAC name is 1-(carbamoylamino)-3-methylideneurea.

Molecular Properties

Compound Name1-(carbamoylamino)-3-methylideneurea
PubChem CID89216716
Molecular FormulaC3H6N4O2
Molecular Weight130.11 g/mol
Exact Mass130.05
IUPAC Name1-(carbamoylamino)-3-methylideneurea
SMILESC=NC(=O)NNC(N)=O
InChIInChI=1S/C3H6N4O2/c1-5-3(9)7-6-2(4)8/h1H2,(H,7,9)(H3,4,6,8)
InChIKeyUINZTXOAABUOEC-UHFFFAOYSA-N
XLogP-1.02
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.11
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)-3-methylideneurea?
The IUPAC name of 1-(carbamoylamino)-3-methylideneurea (CID 89216716) is 1-(carbamoylamino)-3-methylideneurea.
What is the SMILES notation for 1-(carbamoylamino)-3-methylideneurea?
The canonical SMILES for 1-(carbamoylamino)-3-methylideneurea is C=NC(=O)NNC(N)=O.
What is the InChIKey of 1-(carbamoylamino)-3-methylideneurea?
The InChIKey is UINZTXOAABUOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2/c1-5-3(9)7-6-2(4)8/h1H2,(H,7,9)(H3,4,6,8).
What are the key properties of 1-(carbamoylamino)-3-methylideneurea?
1-(carbamoylamino)-3-methylideneurea has a molecular weight of 130.11 g/mol, XLogP of -1.02, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-3-methylideneurea is sourced from PubChem (CID 89216716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).