(1,5,5-trimethylpyrrolidin-3-yl)methanol

C8H17NO — CID 117018814

IUPAC(1,5,5-trimethylpyrrolidin-3-yl)methanol
SMILESCN1CC(CO)CC1(C)C
InChIInChI=1S/C8H17NO/c1-8(2)4-7(6-10)5-9(8)3/h7,10H,4-6H2,1-3H3
InChIKeyCHBISKAQNIJREV-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds1

About (1,5,5-trimethylpyrrolidin-3-yl)methanol

(1,5,5-trimethylpyrrolidin-3-yl)methanol (PubChem CID 117018814) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (1,5,5-trimethylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1,5,5-trimethylpyrrolidin-3-yl)methanol
PubChem CID117018814
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(1,5,5-trimethylpyrrolidin-3-yl)methanol
SMILESCN1CC(CO)CC1(C)C
InChIInChI=1S/C8H17NO/c1-8(2)4-7(6-10)5-9(8)3/h7,10H,4-6H2,1-3H3
InChIKeyCHBISKAQNIJREV-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,5,5-trimethylpyrrolidin-3-yl)methanol?
The IUPAC name of (1,5,5-trimethylpyrrolidin-3-yl)methanol (CID 117018814) is (1,5,5-trimethylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1,5,5-trimethylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1,5,5-trimethylpyrrolidin-3-yl)methanol is CN1CC(CO)CC1(C)C.
What is the InChIKey of (1,5,5-trimethylpyrrolidin-3-yl)methanol?
The InChIKey is CHBISKAQNIJREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)4-7(6-10)5-9(8)3/h7,10H,4-6H2,1-3H3.
What are the key properties of (1,5,5-trimethylpyrrolidin-3-yl)methanol?
(1,5,5-trimethylpyrrolidin-3-yl)methanol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5,5-trimethylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 117018814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).