3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea

C9H18N2O3 — CID 107268631

IUPAC3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
SMILESCC1OCCC1(O)CNC(=O)N(C)C
InChIInChI=1S/C9H18N2O3/c1-7-9(13,4-5-14-7)6-10-8(12)11(2)3/h7,13H,4-6H2,1-3H3,(H,10,12)
InChIKeyICHNNGQUIRAYOK-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.20
Rot. Bonds2

About 3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea

3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea (PubChem CID 107268631) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
PubChem CID107268631
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
SMILESCC1OCCC1(O)CNC(=O)N(C)C
InChIInChI=1S/C9H18N2O3/c1-7-9(13,4-5-14-7)6-10-8(12)11(2)3/h7,13H,4-6H2,1-3H3,(H,10,12)
InChIKeyICHNNGQUIRAYOK-UHFFFAOYSA-N
XLogP-0.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
CID 106102911
2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 114143734
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
5-[(3-hydroxy-2-methyloxolan-3-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106099783
3-[(dimethylsulfamoylamino)methyl]-3-hydroxy-2-methyloxolane
CID 107271476
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 106101650
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 106101660

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea (CID 107268631) is 3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea is CC1OCCC1(O)CNC(=O)N(C)C.
What is the InChIKey of 3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea?
The InChIKey is ICHNNGQUIRAYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7-9(13,4-5-14-7)6-10-8(12)11(2)3/h7,13H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea?
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea has a molecular weight of 202.25 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 107268631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).