1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol

C10H19NO — CID 81468127

IUPAC1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol
SMILESCC(C)=CC1(O)CC(C)N(C)C1
InChIInChI=1S/C10H19NO/c1-8(2)5-10(12)6-9(3)11(4)7-10/h5,9,12H,6-7H2,1-4H3
InChIKeyCZIKRPFGUGXCFC-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds1

About 1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol

1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol (PubChem CID 81468127) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol
PubChem CID81468127
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol
SMILESCC(C)=CC1(O)CC(C)N(C)C1
InChIInChI=1S/C10H19NO/c1-8(2)5-10(12)6-9(3)11(4)7-10/h5,9,12H,6-7H2,1-4H3
InChIKeyCZIKRPFGUGXCFC-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
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-(2-methylprop-1-enyl)pyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol (CID 81468127) is 1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol is CC(C)=CC1(O)CC(C)N(C)C1.
What is the InChIKey of 1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol?
The InChIKey is CZIKRPFGUGXCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)5-10(12)6-9(3)11(4)7-10/h5,9,12H,6-7H2,1-4H3.
What are the key properties of 1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol?
1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(2-methylprop-1-enyl)pyrrolidin-3-ol is sourced from PubChem (CID 81468127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).