2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol

C11H21NO — CID 130878060

IUPAC2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)(C)N1CCCC1
InChIInChI=1S/C11H21NO/c1-9(2)10(13)11(3,4)12-7-5-6-8-12/h10,13H,1,5-8H2,2-4H3
InChIKeyZWDLCNHQAALPFR-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds3

About 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol

2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol (PubChem CID 130878060) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol
PubChem CID130878060
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)(C)N1CCCC1
InChIInChI=1S/C11H21NO/c1-9(2)10(13)11(3,4)12-7-5-6-8-12/h10,13H,1,5-8H2,2-4H3
InChIKeyZWDLCNHQAALPFR-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol
CID 79052130
2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol
CID 79056027
2-(azepan-1-yl)-N-ethyl-2,5-dimethylhex-5-en-3-amine
CID 79185094
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 82932578
2-methyl-2-piperidin-1-ylhexan-3-ol
CID 79045077
2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol
CID 114209872
4-ethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
CID 79179296
2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol
CID 107892960
1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79044925
3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol
CID 79568014
2-methyl-2-piperidin-1-ylhept-5-yn-3-ol
CID 79045084
N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine
CID 79179721

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol?
The IUPAC name of 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol (CID 130878060) is 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol.
What is the SMILES notation for 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol?
The canonical SMILES for 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol is C=C(C)C(O)C(C)(C)N1CCCC1.
What is the InChIKey of 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol?
The InChIKey is ZWDLCNHQAALPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)10(13)11(3,4)12-7-5-6-8-12/h10,13H,1,5-8H2,2-4H3.
What are the key properties of 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol?
2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-pyrrolidin-1-ylpent-1-en-3-ol is sourced from PubChem (CID 130878060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).