2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol

C11H21NO — CID 79055701

IUPAC2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol
SMILESC=CCC(O)C(C)(C)N1CCCC1
InChIInChI=1S/C11H21NO/c1-4-7-10(13)11(2,3)12-8-5-6-9-12/h4,10,13H,1,5-9H2,2-3H3
InChIKeyGFIIAKUUPPHRCL-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds4

About 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol

2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol (PubChem CID 79055701) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol
PubChem CID79055701
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol
SMILESC=CCC(O)C(C)(C)N1CCCC1
InChIInChI=1S/C11H21NO/c1-4-7-10(13)11(2,3)12-8-5-6-9-12/h4,10,13H,1,5-9H2,2-3H3
InChIKeyGFIIAKUUPPHRCL-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol?
The IUPAC name of 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol (CID 79055701) is 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol.
What is the SMILES notation for 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol?
The canonical SMILES for 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol is C=CCC(O)C(C)(C)N1CCCC1.
What is the InChIKey of 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol?
The InChIKey is GFIIAKUUPPHRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-10(13)11(2,3)12-8-5-6-9-12/h4,10,13H,1,5-9H2,2-3H3.
What are the key properties of 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol?
2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrrolidin-1-ylhex-5-en-3-ol is sourced from PubChem (CID 79055701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).