1-methyl-3-pyrrolidin-3-ylurea

C6H13N3O — CID 22504281

IUPAC1-methyl-3-pyrrolidin-3-ylurea
SMILESCNC(=O)NC1CCNC1
InChIInChI=1S/C6H13N3O/c1-7-6(10)9-5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H2,7,9,10)
InChIKeyAETYEPQFHBJEFI-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.72
Rot. Bonds1

About 1-methyl-3-pyrrolidin-3-ylurea

1-methyl-3-pyrrolidin-3-ylurea (PubChem CID 22504281) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-methyl-3-pyrrolidin-3-ylurea.

Molecular Properties

Compound Name1-methyl-3-pyrrolidin-3-ylurea
PubChem CID22504281
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-methyl-3-pyrrolidin-3-ylurea
SMILESCNC(=O)NC1CCNC1
InChIInChI=1S/C6H13N3O/c1-7-6(10)9-5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H2,7,9,10)
InChIKeyAETYEPQFHBJEFI-UHFFFAOYSA-N
XLogP-0.72
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrrolidin-3-ylurea?
The IUPAC name of 1-methyl-3-pyrrolidin-3-ylurea (CID 22504281) is 1-methyl-3-pyrrolidin-3-ylurea.
What is the SMILES notation for 1-methyl-3-pyrrolidin-3-ylurea?
The canonical SMILES for 1-methyl-3-pyrrolidin-3-ylurea is CNC(=O)NC1CCNC1.
What is the InChIKey of 1-methyl-3-pyrrolidin-3-ylurea?
The InChIKey is AETYEPQFHBJEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-7-6(10)9-5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H2,7,9,10).
What are the key properties of 1-methyl-3-pyrrolidin-3-ylurea?
1-methyl-3-pyrrolidin-3-ylurea has a molecular weight of 143.19 g/mol, XLogP of -0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrrolidin-3-ylurea is sourced from PubChem (CID 22504281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).