1,1,3-trimethyl-3-pyrrolidin-3-ylurea

C8H17N3O — CID 79154183

IUPAC1,1,3-trimethyl-3-pyrrolidin-3-ylurea
SMILESCN(C)C(=O)N(C)C1CCNC1
InChIInChI=1S/C8H17N3O/c1-10(2)8(12)11(3)7-4-5-9-6-7/h7,9H,4-6H2,1-3H3
InChIKeyDPWUPATVIQFUKF-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.04
Rot. Bonds1

About 1,1,3-trimethyl-3-pyrrolidin-3-ylurea

1,1,3-trimethyl-3-pyrrolidin-3-ylurea (PubChem CID 79154183) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-pyrrolidin-3-ylurea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-pyrrolidin-3-ylurea
PubChem CID79154183
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1,1,3-trimethyl-3-pyrrolidin-3-ylurea
SMILESCN(C)C(=O)N(C)C1CCNC1
InChIInChI=1S/C8H17N3O/c1-10(2)8(12)11(3)7-4-5-9-6-7/h7,9H,4-6H2,1-3H3
InChIKeyDPWUPATVIQFUKF-UHFFFAOYSA-N
XLogP-0.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-pyrrolidin-3-ylurea?
The IUPAC name of 1,1,3-trimethyl-3-pyrrolidin-3-ylurea (CID 79154183) is 1,1,3-trimethyl-3-pyrrolidin-3-ylurea.
What is the SMILES notation for 1,1,3-trimethyl-3-pyrrolidin-3-ylurea?
The canonical SMILES for 1,1,3-trimethyl-3-pyrrolidin-3-ylurea is CN(C)C(=O)N(C)C1CCNC1.
What is the InChIKey of 1,1,3-trimethyl-3-pyrrolidin-3-ylurea?
The InChIKey is DPWUPATVIQFUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10(2)8(12)11(3)7-4-5-9-6-7/h7,9H,4-6H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-3-pyrrolidin-3-ylurea?
1,1,3-trimethyl-3-pyrrolidin-3-ylurea has a molecular weight of 171.24 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-pyrrolidin-3-ylurea is sourced from PubChem (CID 79154183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).