1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea

C10H20N2O2 — CID 71977298

IUPAC1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
SMILESCNC(=O)NCC1CCOC1C(C)C
InChIInChI=1S/C10H20N2O2/c1-7(2)9-8(4-5-14-9)6-12-10(13)11-3/h7-9H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyHOYOKOJYXTXUQF-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.98
Rot. Bonds3

About 1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea

1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea (PubChem CID 71977298) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
PubChem CID71977298
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
SMILESCNC(=O)NCC1CCOC1C(C)C
InChIInChI=1S/C10H20N2O2/c1-7(2)9-8(4-5-14-9)6-12-10(13)11-3/h7-9H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyHOYOKOJYXTXUQF-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea (CID 71977298) is 1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea is CNC(=O)NCC1CCOC1C(C)C.
What is the InChIKey of 1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The InChIKey is HOYOKOJYXTXUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)9-8(4-5-14-9)6-12-10(13)11-3/h7-9H,4-6H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea has a molecular weight of 200.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-propan-2-yloxolan-3-yl)methyl]urea is sourced from PubChem (CID 71977298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).