1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea

C11H20N2O2 — CID 103742048

IUPAC1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
SMILESCC1(CNC(=O)NC2CC2)CCOCC1
InChIInChI=1S/C11H20N2O2/c1-11(4-6-15-7-5-11)8-12-10(14)13-9-2-3-9/h9H,2-8H2,1H3,(H2,12,13,14)
InChIKeySBQYVPDHBVVRJK-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.26
Rot. Bonds3

About 1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea

1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea (PubChem CID 103742048) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
PubChem CID103742048
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
SMILESCC1(CNC(=O)NC2CC2)CCOCC1
InChIInChI=1S/C11H20N2O2/c1-11(4-6-15-7-5-11)8-12-10(14)13-9-2-3-9/h9H,2-8H2,1H3,(H2,12,13,14)
InChIKeySBQYVPDHBVVRJK-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624323
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103843990
1-cyclobutyl-3-[(3-methyloxetan-3-yl)methyl]urea
CID 115624335
1-[(4-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113400570
(E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide
CID 103742481
2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742498
1-cyclopropyl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 90604890
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 38156413
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea (CID 103742048) is 1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea is CC1(CNC(=O)NC2CC2)CCOCC1.
What is the InChIKey of 1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea?
The InChIKey is SBQYVPDHBVVRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(4-6-15-7-5-11)8-12-10(14)13-9-2-3-9/h9H,2-8H2,1H3,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea?
1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea has a molecular weight of 212.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea is sourced from PubChem (CID 103742048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).