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

C9H16N2O3 — CID 18350061

IUPAC1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea
SMILESCCN(CC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C9H16N2O3/c1-2-11(4-8-6-14-8)9(12)10-3-7-5-13-7/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyCIUITGKAIIPVIX-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.18
Rot. Bonds5

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

1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea (PubChem CID 18350061) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea
PubChem CID18350061
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea
SMILESCCN(CC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C9H16N2O3/c1-2-11(4-8-6-14-8)9(12)10-3-7-5-13-7/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyCIUITGKAIIPVIX-UHFFFAOYSA-N
XLogP-0.18
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis(oxiran-2-ylmethyl)urea
CID 20331550
1,3-Dimethyl-1,3-bis(oxiran-2-ylmethyl)urea
CID 20331555
1,1,3,3-Tetrakis(oxiran-2-ylmethyl)urea
CID 21422545
1,3-Bis(oxiran-2-ylmethyl)-1-(oxiran-2-ylmethylcarbamoyl)urea
CID 88324956
1-(2-Ethoxypropyl)-1,3-di(propan-2-yl)urea
CID 88882702
3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea
CID 89020626
1-(2-Methylbutyl)-3-(oxiran-2-ylmethyl)urea
CID 89092300
1-(Hydroxymethyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 89219969
3-Ethyl-1,1-bis(oxiran-2-ylmethyl)urea
CID 90100578
N-ethyl-3-methoxypyrrolidine-1-carboxamide
CID 103532032
1-Methyl-1,3-bis(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea
CID 117749983
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]formamide
CID 124007174

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea?
The IUPAC name of 1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea (CID 18350061) is 1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea?
The canonical SMILES for 1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea is CCN(CC1CO1)C(=O)NCC1CO1.
What is the InChIKey of 1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea?
The InChIKey is CIUITGKAIIPVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-11(4-8-6-14-8)9(12)10-3-7-5-13-7/h7-8H,2-6H2,1H3,(H,10,12).
What are the key properties of 1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea?
1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea has a molecular weight of 200.24 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-bis(oxiran-2-ylmethyl)urea is sourced from PubChem (CID 18350061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).