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

C11H23N3O — CID 47448513

IUPAC1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
SMILESCCNC(=O)NCC1CCN(C(C)C)C1
InChIInChI=1S/C11H23N3O/c1-4-12-11(15)13-7-10-5-6-14(8-10)9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyOCCCUKBGOXWTQT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.04
Rot. Bonds4

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

1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea (PubChem CID 47448513) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
PubChem CID47448513
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
SMILESCCNC(=O)NCC1CCN(C(C)C)C1
InChIInChI=1S/C11H23N3O/c1-4-12-11(15)13-7-10-5-6-14(8-10)9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyOCCCUKBGOXWTQT-UHFFFAOYSA-N
XLogP1.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea (CID 47448513) is 1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea is CCNC(=O)NCC1CCN(C(C)C)C1.
What is the InChIKey of 1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea?
The InChIKey is OCCCUKBGOXWTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-12-11(15)13-7-10-5-6-14(8-10)9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea?
1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea has a molecular weight of 213.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 47448513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).