1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C15H25N3O2 — CID 75379965

IUPAC1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NCC1CCN(C2CC2)C1)NC1CC2CCC1O2
InChIInChI=1S/C15H25N3O2/c19-15(17-13-7-12-3-4-14(13)20-12)16-8-10-5-6-18(9-10)11-1-2-11/h10-14H,1-9H2,(H2,16,17,19)
InChIKeyIJBGJRIZVQYHJT-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.09
Rot. Bonds4

About 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 75379965) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID75379965
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NCC1CCN(C2CC2)C1)NC1CC2CCC1O2
InChIInChI=1S/C15H25N3O2/c19-15(17-13-7-12-3-4-14(13)20-12)16-8-10-5-6-18(9-10)11-1-2-11/h10-14H,1-9H2,(H2,16,17,19)
InChIKeyIJBGJRIZVQYHJT-UHFFFAOYSA-N
XLogP1.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 75379965) is 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is O=C(NCC1CCN(C2CC2)C1)NC1CC2CCC1O2.
What is the InChIKey of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is IJBGJRIZVQYHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c19-15(17-13-7-12-3-4-14(13)20-12)16-8-10-5-6-18(9-10)11-1-2-11/h10-14H,1-9H2,(H2,16,17,19).
What are the key properties of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 279.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 75379965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).