[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C15H23N3O2 — CID 124990157

IUPAC[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CC[C@@](O)(CN2CCCC2)C1
InChIInChI=1S/C15H23N3O2/c1-16-7-4-5-13(16)14(19)18-10-6-15(20,12-18)11-17-8-2-3-9-17/h4-5,7,20H,2-3,6,8-12H2,1H3/t15-/m1/s1
InChIKeyOZSKXFPNCIFFFC-OAHLLOKOSA-N
MW277.37 g/mol
LogP0.70
Rot. Bonds3

About [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 124990157) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID124990157
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CC[C@@](O)(CN2CCCC2)C1
InChIInChI=1S/C15H23N3O2/c1-16-7-4-5-13(16)14(19)18-10-6-15(20,12-18)11-17-8-2-3-9-17/h4-5,7,20H,2-3,6,8-12H2,1H3/t15-/m1/s1
InChIKeyOZSKXFPNCIFFFC-OAHLLOKOSA-N
XLogP0.70
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone with MolForge

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Related Compounds

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CID 72881384
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 124990157) is [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CC[C@@](O)(CN2CCCC2)C1.
What is the InChIKey of [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is OZSKXFPNCIFFFC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-16-7-4-5-13(16)14(19)18-10-6-15(20,12-18)11-17-8-2-3-9-17/h4-5,7,20H,2-3,6,8-12H2,1H3/t15-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 124990157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).