1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea

C11H21N3O2 — CID 71068824

IUPAC1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea
SMILESCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1
InChIInChI=1S/C11H21N3O2/c1-12-11(15)13-9-2-5-14(8-9)10-3-6-16-7-4-10/h9-10H,2-8H2,1H3,(H2,12,13,15)/t9-/m1/s1
InChIKeySACYPERBNGLRHI-SECBINFHSA-N
MW227.31 g/mol
LogP0.17
Rot. Bonds2

About 1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea

1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea (PubChem CID 71068824) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea
PubChem CID71068824
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea
SMILESCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1
InChIInChI=1S/C11H21N3O2/c1-12-11(15)13-9-2-5-14(8-9)10-3-6-16-7-4-10/h9-10H,2-8H2,1H3,(H2,12,13,15)/t9-/m1/s1
InChIKeySACYPERBNGLRHI-SECBINFHSA-N
XLogP0.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea (CID 71068824) is 1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea is CNC(=O)N[C@@H]1CCN(C2CCOCC2)C1.
What is the InChIKey of 1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea?
The InChIKey is SACYPERBNGLRHI-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-12-11(15)13-9-2-5-14(8-9)10-3-6-16-7-4-10/h9-10H,2-8H2,1H3,(H2,12,13,15)/t9-/m1/s1.
What are the key properties of 1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea?
1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea has a molecular weight of 227.31 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 71068824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).