1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea

C11H23N3O — CID 145081340

IUPAC1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
SMILESCNC(=O)N(C)CC1CCN(C(C)C)C1
InChIInChI=1S/C11H23N3O/c1-9(2)14-6-5-10(8-14)7-13(4)11(15)12-3/h9-10H,5-8H2,1-4H3,(H,12,15)
InChIKeyILXAWSJIRABYOI-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.99
Rot. Bonds3

About 1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea

1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea (PubChem CID 145081340) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
PubChem CID145081340
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
SMILESCNC(=O)N(C)CC1CCN(C(C)C)C1
InChIInChI=1S/C11H23N3O/c1-9(2)14-6-5-10(8-14)7-13(4)11(15)12-3/h9-10H,5-8H2,1-4H3,(H,12,15)
InChIKeyILXAWSJIRABYOI-UHFFFAOYSA-N
XLogP0.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea (CID 145081340) is 1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea is CNC(=O)N(C)CC1CCN(C(C)C)C1.
What is the InChIKey of 1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea?
The InChIKey is ILXAWSJIRABYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)14-6-5-10(8-14)7-13(4)11(15)12-3/h9-10H,5-8H2,1-4H3,(H,12,15).
What are the key properties of 1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea?
1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea has a molecular weight of 213.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 145081340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).