1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea

C9H18N2O2 — CID 130951975

IUPAC1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea
SMILESCC1CCC(CNC(=O)N(C)C)O1
InChIInChI=1S/C9H18N2O2/c1-7-4-5-8(13-7)6-10-9(12)11(2)3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyIAYXBYZRRYTFOU-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds2

About 1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea

1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea (PubChem CID 130951975) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea
PubChem CID130951975
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea
SMILESCC1CCC(CNC(=O)N(C)C)O1
InChIInChI=1S/C9H18N2O2/c1-7-4-5-8(13-7)6-10-9(12)11(2)3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyIAYXBYZRRYTFOU-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea
CID 130915059
2-fluoro-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propanamide
CID 131187349
2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid
CID 103133662
3-bromo-N-[(5-methyloxolan-2-yl)methyl]prop-2-ynamide
CID 131059412
2-methyl-N-[(5-methyloxolan-2-yl)methyl]cyclopropan-1-amine
CID 82835970
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]acetamide
CID 82833793
2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid
CID 103133669
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
CID 103800989
N',N'-dimethyl-N-[(5-methyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 82834863
1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
CID 45085675
3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
CID 115590479
3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea
CID 83116093

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea (CID 130951975) is 1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea is CC1CCC(CNC(=O)N(C)C)O1.
What is the InChIKey of 1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea?
The InChIKey is IAYXBYZRRYTFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-4-5-8(13-7)6-10-9(12)11(2)3/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea?
1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea has a molecular weight of 186.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea is sourced from PubChem (CID 130951975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).