[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone

C15H19NO2 — CID 97391952

IUPAC[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CC[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H19NO2/c17-14-8-9-16(15(18)12-6-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2/t13-,14-/m0/s1
InChIKeyIXELGIHWJRXRSX-KBPBESRZSA-N
MW245.32 g/mol
LogP1.60
Rot. Bonds3

About [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone

[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 97391952) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone
PubChem CID97391952
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CC[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H19NO2/c17-14-8-9-16(15(18)12-6-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2/t13-,14-/m0/s1
InChIKeyIXELGIHWJRXRSX-KBPBESRZSA-N
XLogP1.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone (CID 97391952) is [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CC[C@H](O)[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is IXELGIHWJRXRSX-KBPBESRZSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14-8-9-16(15(18)12-6-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2/t13-,14-/m0/s1.
What are the key properties of [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone?
[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 245.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 97391952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).