1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol

C9H17NO — CID 81468754

IUPAC1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol
SMILESC=CCC1(O)CC(C)N(C)C1
InChIInChI=1S/C9H17NO/c1-4-5-9(11)6-8(2)10(3)7-9/h4,8,11H,1,5-7H2,2-3H3
InChIKeyRZAPHSRKCXIHTJ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds2

About 1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol

1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol (PubChem CID 81468754) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol
PubChem CID81468754
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol
SMILESC=CCC1(O)CC(C)N(C)C1
InChIInChI=1S/C9H17NO/c1-4-5-9(11)6-8(2)10(3)7-9/h4,8,11H,1,5-7H2,2-3H3
InChIKeyRZAPHSRKCXIHTJ-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
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 1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol (CID 81468754) is 1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol is C=CCC1(O)CC(C)N(C)C1.
What is the InChIKey of 1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol?
The InChIKey is RZAPHSRKCXIHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-9(11)6-8(2)10(3)7-9/h4,8,11H,1,5-7H2,2-3H3.
What are the key properties of 1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol?
1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-prop-2-enylpyrrolidin-3-ol is sourced from PubChem (CID 81468754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).