[(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol

C13H26N2O — CID 50964567

IUPAC[(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol
SMILESCC/C=C(\C)CN1C[C@H](N(C)C)C[C@H]1CO
InChIInChI=1S/C13H26N2O/c1-5-6-11(2)8-15-9-12(14(3)4)7-13(15)10-16/h6,12-13,16H,5,7-10H2,1-4H3/b11-6+/t12-,13+/m1/s1
InChIKeyUOZVEFKGVUNHHX-YCBFNFSOSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds5

About [(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol

[(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol (PubChem CID 50964567) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol
PubChem CID50964567
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol
SMILESCC/C=C(\C)CN1C[C@H](N(C)C)C[C@H]1CO
InChIInChI=1S/C13H26N2O/c1-5-6-11(2)8-15-9-12(14(3)4)7-13(15)10-16/h6,12-13,16H,5,7-10H2,1-4H3/b11-6+/t12-,13+/m1/s1
InChIKeyUOZVEFKGVUNHHX-YCBFNFSOSA-N
XLogP1.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol (CID 50964567) is [(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol is CC/C=C(\C)CN1C[C@H](N(C)C)C[C@H]1CO.
What is the InChIKey of [(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol?
The InChIKey is UOZVEFKGVUNHHX-YCBFNFSOSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-6-11(2)8-15-9-12(14(3)4)7-13(15)10-16/h6,12-13,16H,5,7-10H2,1-4H3/b11-6+/t12-,13+/m1/s1.
What are the key properties of [(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol?
[(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-(dimethylamino)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 50964567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).