(1-methyl-3-propylpyrrolidin-3-yl)methanol

C9H19NO — CID 20978061

IUPAC(1-methyl-3-propylpyrrolidin-3-yl)methanol
SMILESCCCC1(CO)CCN(C)C1
InChIInChI=1S/C9H19NO/c1-3-4-9(8-11)5-6-10(2)7-9/h11H,3-8H2,1-2H3
InChIKeyDAGUOFWKMZLUHN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds3

About (1-methyl-3-propylpyrrolidin-3-yl)methanol

(1-methyl-3-propylpyrrolidin-3-yl)methanol (PubChem CID 20978061) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1-methyl-3-propylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-methyl-3-propylpyrrolidin-3-yl)methanol
PubChem CID20978061
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1-methyl-3-propylpyrrolidin-3-yl)methanol
SMILESCCCC1(CO)CCN(C)C1
InChIInChI=1S/C9H19NO/c1-3-4-9(8-11)5-6-10(2)7-9/h11H,3-8H2,1-2H3
InChIKeyDAGUOFWKMZLUHN-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-propylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-methyl-3-propylpyrrolidin-3-yl)methanol (CID 20978061) is (1-methyl-3-propylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-methyl-3-propylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-methyl-3-propylpyrrolidin-3-yl)methanol is CCCC1(CO)CCN(C)C1.
What is the InChIKey of (1-methyl-3-propylpyrrolidin-3-yl)methanol?
The InChIKey is DAGUOFWKMZLUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-9(8-11)5-6-10(2)7-9/h11H,3-8H2,1-2H3.
What are the key properties of (1-methyl-3-propylpyrrolidin-3-yl)methanol?
(1-methyl-3-propylpyrrolidin-3-yl)methanol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-propylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 20978061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).