(2-ethyl-1-methylpyrrolidin-2-yl)methanol

C8H17NO — CID 71757811

IUPAC(2-ethyl-1-methylpyrrolidin-2-yl)methanol
SMILESCCC1(CO)CCCN1C
InChIInChI=1S/C8H17NO/c1-3-8(7-10)5-4-6-9(8)2/h10H,3-7H2,1-2H3
InChIKeyONCQZLDVYRIZII-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds2

About (2-ethyl-1-methylpyrrolidin-2-yl)methanol

(2-ethyl-1-methylpyrrolidin-2-yl)methanol (PubChem CID 71757811) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2-ethyl-1-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-1-methylpyrrolidin-2-yl)methanol
PubChem CID71757811
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2-ethyl-1-methylpyrrolidin-2-yl)methanol
SMILESCCC1(CO)CCCN1C
InChIInChI=1S/C8H17NO/c1-3-8(7-10)5-4-6-9(8)2/h10H,3-7H2,1-2H3
InChIKeyONCQZLDVYRIZII-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-methylpyrrolidin-2-yl)methanol?
The IUPAC name of (2-ethyl-1-methylpyrrolidin-2-yl)methanol (CID 71757811) is (2-ethyl-1-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (2-ethyl-1-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for (2-ethyl-1-methylpyrrolidin-2-yl)methanol is CCC1(CO)CCCN1C.
What is the InChIKey of (2-ethyl-1-methylpyrrolidin-2-yl)methanol?
The InChIKey is ONCQZLDVYRIZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(7-10)5-4-6-9(8)2/h10H,3-7H2,1-2H3.
What are the key properties of (2-ethyl-1-methylpyrrolidin-2-yl)methanol?
(2-ethyl-1-methylpyrrolidin-2-yl)methanol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 71757811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).