3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea

C8H13N3O4 — CID 174826052

IUPAC3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea
SMILESNC(=O)NC(=O)N(CC1CO1)CC1CO1
InChIInChI=1S/C8H13N3O4/c9-7(12)10-8(13)11(1-5-3-14-5)2-6-4-15-6/h5-6H,1-4H2,(H3,9,10,12,13)
InChIKeyGFELAVNMDLJIJM-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.13
Rot. Bonds4

About 3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea

3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea (PubChem CID 174826052) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea.

Molecular Properties

Compound Name3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea
PubChem CID174826052
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea
SMILESNC(=O)NC(=O)N(CC1CO1)CC1CO1
InChIInChI=1S/C8H13N3O4/c9-7(12)10-8(13)11(1-5-3-14-5)2-6-4-15-6/h5-6H,1-4H2,(H3,9,10,12,13)
InChIKeyGFELAVNMDLJIJM-UHFFFAOYSA-N
XLogP-1.13
TPSA100.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Triglycidyl isocyanurate
CID 17142
Teroxirone
CID 6917771
beta-Triglycidyl isocyanurate, (+)-
CID 198383
Triglycidyl isocyanurate, (S,S,S)-
CID 11197252
1-[(Oxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 22253209
1-Methyl-3,5-bis((oxiran-2-yl)methyl)-1,3,5-triazinane-2,4,6-trione
CID 22922743
Triglycidyl isocyanurate, (R,S,S)-
CID 23725045
1-Ethyl-1,3-bis(oxiran-2-ylmethyl)urea
CID 18350061
1-Ethyl-3-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 19347708
1-(Oxiran-2-ylmethyl)-3-propyl-1,3,5-triazinane-2,4,6-trione
CID 19347712
1,3-Bis[(2-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 20511988
1,3-Bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 20512028

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea?
The IUPAC name of 3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea (CID 174826052) is 3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea.
What is the SMILES notation for 3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea?
The canonical SMILES for 3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea is NC(=O)NC(=O)N(CC1CO1)CC1CO1.
What is the InChIKey of 3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea?
The InChIKey is GFELAVNMDLJIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c9-7(12)10-8(13)11(1-5-3-14-5)2-6-4-15-6/h5-6H,1-4H2,(H3,9,10,12,13).
What are the key properties of 3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea?
3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea has a molecular weight of 215.21 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea is sourced from PubChem (CID 174826052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).