1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol

C10H21NO — CID 102568698

IUPAC1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol
SMILESCCN1CC(O)CC1CC(C)C
InChIInChI=1S/C10H21NO/c1-4-11-7-10(12)6-9(11)5-8(2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyRMSFOCCFZZFMJH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds3

About 1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol

1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol (PubChem CID 102568698) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol
PubChem CID102568698
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol
SMILESCCN1CC(O)CC1CC(C)C
InChIInChI=1S/C10H21NO/c1-4-11-7-10(12)6-9(11)5-8(2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyRMSFOCCFZZFMJH-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol?
The IUPAC name of 1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol (CID 102568698) is 1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol?
The canonical SMILES for 1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol is CCN1CC(O)CC1CC(C)C.
What is the InChIKey of 1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol?
The InChIKey is RMSFOCCFZZFMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-11-7-10(12)6-9(11)5-8(2)3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol?
1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 102568698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).