(1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone

C11H19NO2 — CID 176625340

IUPAC(1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)[C@@H]1CCN(C(=O)C2(O)CC2)C1
InChIInChI=1S/C11H19NO2/c1-8(2)9-3-6-12(7-9)10(13)11(14)4-5-11/h8-9,14H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyJGTKXTJTKFJPQM-SECBINFHSA-N
MW197.28 g/mol
LogP1.02
Rot. Bonds2

About (1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone

(1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone (PubChem CID 176625340) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
PubChem CID176625340
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)[C@@H]1CCN(C(=O)C2(O)CC2)C1
InChIInChI=1S/C11H19NO2/c1-8(2)9-3-6-12(7-9)10(13)11(14)4-5-11/h8-9,14H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyJGTKXTJTKFJPQM-SECBINFHSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone (CID 176625340) is (1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone is CC(C)[C@@H]1CCN(C(=O)C2(O)CC2)C1.
What is the InChIKey of (1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is JGTKXTJTKFJPQM-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)9-3-6-12(7-9)10(13)11(14)4-5-11/h8-9,14H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone?
(1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 197.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclopropyl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 176625340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).