2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol

C10H21NO — CID 127007454

IUPAC2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol
SMILESCCC1C(C)CCN1C(C)CO
InChIInChI=1S/C10H21NO/c1-4-10-8(2)5-6-11(10)9(3)7-12/h8-10,12H,4-7H2,1-3H3
InChIKeyNSNDPRJLSJJMAN-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol

2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol (PubChem CID 127007454) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol
PubChem CID127007454
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol
SMILESCCC1C(C)CCN1C(C)CO
InChIInChI=1S/C10H21NO/c1-4-10-8(2)5-6-11(10)9(3)7-12/h8-10,12H,4-7H2,1-3H3
InChIKeyNSNDPRJLSJJMAN-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 2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol (CID 127007454) is 2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol is CCC1C(C)CCN1C(C)CO.
What is the InChIKey of 2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol?
The InChIKey is NSNDPRJLSJJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10-8(2)5-6-11(10)9(3)7-12/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol?
2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-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 2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 127007454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).