2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol

C15H31NO — CID 114209872

IUPAC2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol
SMILESCC(C)(C)CCCC(O)C(C)(C)N1CCCC1
InChIInChI=1S/C15H31NO/c1-14(2,3)10-8-9-13(17)15(4,5)16-11-6-7-12-16/h13,17H,6-12H2,1-5H3
InChIKeyVHDGMRSXLHMQMP-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds5

About 2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol

2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol (PubChem CID 114209872) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol.

Molecular Properties

Compound Name2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol
PubChem CID114209872
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol
SMILESCC(C)(C)CCCC(O)C(C)(C)N1CCCC1
InChIInChI=1S/C15H31NO/c1-14(2,3)10-8-9-13(17)15(4,5)16-11-6-7-12-16/h13,17H,6-12H2,1-5H3
InChIKeyVHDGMRSXLHMQMP-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol?
The IUPAC name of 2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol (CID 114209872) is 2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol.
What is the SMILES notation for 2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol?
The canonical SMILES for 2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol is CC(C)(C)CCCC(O)C(C)(C)N1CCCC1.
What is the InChIKey of 2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol?
The InChIKey is VHDGMRSXLHMQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-14(2,3)10-8-9-13(17)15(4,5)16-11-6-7-12-16/h13,17H,6-12H2,1-5H3.
What are the key properties of 2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol?
2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol has a molecular weight of 241.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol is sourced from PubChem (CID 114209872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).