1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea

C17H25N3O — CID 95203939

IUPAC1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea
SMILESCCNC(=O)NC[C@H]1CCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C17H25N3O/c1-2-18-17(21)19-11-13-7-8-20(12-13)16-9-14-5-3-4-6-15(14)10-16/h3-6,13,16H,2,7-12H2,1H3,(H2,18,19,21)/t13-/m1/s1
InChIKeyNCKSJFCKOOQPLW-CYBMUJFWSA-N
MW287.41 g/mol
LogP1.79
Rot. Bonds4

About 1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea

1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea (PubChem CID 95203939) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea
PubChem CID95203939
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea
SMILESCCNC(=O)NC[C@H]1CCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C17H25N3O/c1-2-18-17(21)19-11-13-7-8-20(12-13)16-9-14-5-3-4-6-15(14)10-16/h3-6,13,16H,2,7-12H2,1H3,(H2,18,19,21)/t13-/m1/s1
InChIKeyNCKSJFCKOOQPLW-CYBMUJFWSA-N
XLogP1.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea with MolForge

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Related Compounds

N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide
CID 95189282
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide
CID 95188805
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea
CID 97081608
1-[(2-methylphenyl)methyl]-3-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 95222597
1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea
CID 56739137
N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
CID 86993830
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 61180690
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 112832261
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-ethylsulfinylbenzamide
CID 146085428
1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea
CID 23609402

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea?
The IUPAC name of 1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea (CID 95203939) is 1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea.
What is the SMILES notation for 1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea?
The canonical SMILES for 1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea is CCNC(=O)NC[C@H]1CCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of 1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea?
The InChIKey is NCKSJFCKOOQPLW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-18-17(21)19-11-13-7-8-20(12-13)16-9-14-5-3-4-6-15(14)10-16/h3-6,13,16H,2,7-12H2,1H3,(H2,18,19,21)/t13-/m1/s1.
What are the key properties of 1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea?
1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea has a molecular weight of 287.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea is sourced from PubChem (CID 95203939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).