1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea

C15H21N3O2 — CID 10468642

IUPAC1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea
SMILESCCNC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1
InChIInChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m1/s1
InChIKeyCDGKTTRAJGRLKP-LLVKDONJSA-N
MW275.35 g/mol
LogP1.52
Rot. Bonds3

About 1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea

1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea (PubChem CID 10468642) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea
PubChem CID10468642
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea
SMILESCCNC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1
InChIInChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m1/s1
InChIKeyCDGKTTRAJGRLKP-LLVKDONJSA-N
XLogP1.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea?
The IUPAC name of 1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea (CID 10468642) is 1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea.
What is the SMILES notation for 1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea?
The canonical SMILES for 1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea is CCNC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1.
What is the InChIKey of 1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea?
The InChIKey is CDGKTTRAJGRLKP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea?
1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea has a molecular weight of 275.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]-3-ethylurea is sourced from PubChem (CID 10468642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).