2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol

C10H21NO2 — CID 91173745

IUPAC2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol
SMILESCCC1NCC(OCC(C)C)C1O
InChIInChI=1S/C10H21NO2/c1-4-8-10(12)9(5-11-8)13-6-7(2)3/h7-12H,4-6H2,1-3H3
InChIKeyZDFQAVUFXQRPAY-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds4

About 2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol

2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol (PubChem CID 91173745) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol
PubChem CID91173745
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol
SMILESCCC1NCC(OCC(C)C)C1O
InChIInChI=1S/C10H21NO2/c1-4-8-10(12)9(5-11-8)13-6-7(2)3/h7-12H,4-6H2,1-3H3
InChIKeyZDFQAVUFXQRPAY-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol?
The IUPAC name of 2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol (CID 91173745) is 2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol.
What is the SMILES notation for 2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol?
The canonical SMILES for 2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol is CCC1NCC(OCC(C)C)C1O.
What is the InChIKey of 2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol?
The InChIKey is ZDFQAVUFXQRPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-8-10(12)9(5-11-8)13-6-7(2)3/h7-12H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol?
2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methylpropoxy)pyrrolidin-3-ol is sourced from PubChem (CID 91173745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).