[(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol

C13H25NO — CID 135037345

IUPAC[(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol
SMILESC=CC[C@@]1(CO)CCCN1CC(C)(C)C
InChIInChI=1S/C13H25NO/c1-5-7-13(11-15)8-6-9-14(13)10-12(2,3)4/h5,15H,1,6-11H2,2-4H3/t13-/m0/s1
InChIKeyMKPGORMNSVZZAW-ZDUSSCGKSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds4

About [(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol

[(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol (PubChem CID 135037345) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol
PubChem CID135037345
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol
SMILESC=CC[C@@]1(CO)CCCN1CC(C)(C)C
InChIInChI=1S/C13H25NO/c1-5-7-13(11-15)8-6-9-14(13)10-12(2,3)4/h5,15H,1,6-11H2,2-4H3/t13-/m0/s1
InChIKeyMKPGORMNSVZZAW-ZDUSSCGKSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
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 [(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol (CID 135037345) is [(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol is C=CC[C@@]1(CO)CCCN1CC(C)(C)C.
What is the InChIKey of [(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol?
The InChIKey is MKPGORMNSVZZAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-7-13(11-15)8-6-9-14(13)10-12(2,3)4/h5,15H,1,6-11H2,2-4H3/t13-/m0/s1.
What are the key properties of [(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol?
[(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,2-dimethylpropyl)-2-prop-2-enylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 135037345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).