1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea

C9H19N3O — CID 110475769

IUPAC1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
SMILESCN1CCC(CNC(=O)N(C)C)C1
InChIInChI=1S/C9H19N3O/c1-11(2)9(13)10-6-8-4-5-12(3)7-8/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyYSFXPABOTKOXDW-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.21
Rot. Bonds2

About 1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea

1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea (PubChem CID 110475769) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
PubChem CID110475769
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
SMILESCN1CCC(CNC(=O)N(C)C)C1
InChIInChI=1S/C9H19N3O/c1-11(2)9(13)10-6-8-4-5-12(3)7-8/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyYSFXPABOTKOXDW-UHFFFAOYSA-N
XLogP0.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea (CID 110475769) is 1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea is CN1CCC(CNC(=O)N(C)C)C1.
What is the InChIKey of 1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea?
The InChIKey is YSFXPABOTKOXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11(2)9(13)10-6-8-4-5-12(3)7-8/h8H,4-7H2,1-3H3,(H,10,13).
What are the key properties of 1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea?
1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea has a molecular weight of 185.27 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 110475769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).