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

C9H18N2O2 — CID 130915059

IUPAC1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea
SMILESCCNC(=O)NCC1CCC(C)O1
InChIInChI=1S/C9H18N2O2/c1-3-10-9(12)11-6-8-5-4-7(2)13-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyQPXCHVWODJAMDI-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.87
Rot. Bonds3

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

1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea (PubChem CID 130915059) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea
PubChem CID130915059
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea
SMILESCCNC(=O)NCC1CCC(C)O1
InChIInChI=1S/C9H18N2O2/c1-3-10-9(12)11-6-8-5-4-7(2)13-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyQPXCHVWODJAMDI-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid
CID 103133662
2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid
CID 103133669
1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea
CID 130951975
2-fluoro-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propanamide
CID 131187349
3-bromo-N-[(5-methyloxolan-2-yl)methyl]prop-2-ynamide
CID 131059412
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]acetamide
CID 82833793
1-[(2-aminocyclohexyl)methyl]-3-ethylurea
CID 64927851
1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
CID 45085675
ethyl (2R,3S)-2-methyl-3-[[(2S,5S)-5-methyloxolan-2-yl]methylamino]butanoate
CID 124872586
2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate
CID 83212137
1,3-diethylurea;ethane
CID 142885504
2-methyl-N-[(5-methyloxolan-2-yl)methyl]cyclopropan-1-amine
CID 82835970

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea (CID 130915059) is 1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea is CCNC(=O)NCC1CCC(C)O1.
What is the InChIKey of 1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea?
The InChIKey is QPXCHVWODJAMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-10-9(12)11-6-8-5-4-7(2)13-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea?
1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea has a molecular weight of 186.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea is sourced from PubChem (CID 130915059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).