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

C11H21NO — CID 167496614

IUPAC2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol
SMILESCC=CC(C)(C)C(O)C1CCCN1
InChIInChI=1S/C11H21NO/c1-4-7-11(2,3)10(13)9-6-5-8-12-9/h4,7,9-10,12-13H,5-6,8H2,1-3H3
InChIKeyOVHMLVLENHLORQ-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.70
Rot. Bonds3

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

2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol (PubChem CID 167496614) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol
PubChem CID167496614
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol
SMILESCC=CC(C)(C)C(O)C1CCCN1
InChIInChI=1S/C11H21NO/c1-4-7-11(2,3)10(13)9-6-5-8-12-9/h4,7,9-10,12-13H,5-6,8H2,1-3H3
InChIKeyOVHMLVLENHLORQ-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
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 2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol?
The IUPAC name of 2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol (CID 167496614) is 2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol?
The canonical SMILES for 2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol is CC=CC(C)(C)C(O)C1CCCN1.
What is the InChIKey of 2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol?
The InChIKey is OVHMLVLENHLORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-11(2,3)10(13)9-6-5-8-12-9/h4,7,9-10,12-13H,5-6,8H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol?
2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol has a molecular weight of 183.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyrrolidin-2-ylpent-3-en-1-ol is sourced from PubChem (CID 167496614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).