(2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone

C13H23NO2 — CID 58584483

IUPAC(2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
SMILESCCC1CC(O)CN1C(=O)C1(C(C)C)CC1
InChIInChI=1S/C13H23NO2/c1-4-10-7-11(15)8-14(10)12(16)13(5-6-13)9(2)3/h9-11,15H,4-8H2,1-3H3
InChIKeyUFSANJNRVSQMQQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.79
Rot. Bonds3

About (2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone

(2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone (PubChem CID 58584483) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name(2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
PubChem CID58584483
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
SMILESCCC1CC(O)CN1C(=O)C1(C(C)C)CC1
InChIInChI=1S/C13H23NO2/c1-4-10-7-11(15)8-14(10)12(16)13(5-6-13)9(2)3/h9-11,15H,4-8H2,1-3H3
InChIKeyUFSANJNRVSQMQQ-UHFFFAOYSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone?
The IUPAC name of (2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone (CID 58584483) is (2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone.
What is the SMILES notation for (2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone?
The canonical SMILES for (2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone is CCC1CC(O)CN1C(=O)C1(C(C)C)CC1.
What is the InChIKey of (2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone?
The InChIKey is UFSANJNRVSQMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-10-7-11(15)8-14(10)12(16)13(5-6-13)9(2)3/h9-11,15H,4-8H2,1-3H3.
What are the key properties of (2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone?
(2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone has a molecular weight of 225.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-hydroxypyrrolidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone is sourced from PubChem (CID 58584483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).