5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol

C16H24N2O — CID 77111542

IUPAC5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CC=Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-17(2)12-15-11-16(19)13-18(15)10-6-9-14-7-4-3-5-8-14/h3-9,15-16,19H,10-13H2,1-2H3
InChIKeyLHRKTGAOOBNOIC-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.70
Rot. Bonds5

About 5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol (PubChem CID 77111542) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol
PubChem CID77111542
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CC=Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-17(2)12-15-11-16(19)13-18(15)10-6-9-14-7-4-3-5-8-14/h3-9,15-16,19H,10-13H2,1-2H3
InChIKeyLHRKTGAOOBNOIC-UHFFFAOYSA-N
XLogP1.70
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol (CID 77111542) is 5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol is CN(C)CC1CC(O)CN1CC=Cc1ccccc1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol?
The InChIKey is LHRKTGAOOBNOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17(2)12-15-11-16(19)13-18(15)10-6-9-14-7-4-3-5-8-14/h3-9,15-16,19H,10-13H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol has a molecular weight of 260.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(3-phenylprop-2-enyl)pyrrolidin-3-ol is sourced from PubChem (CID 77111542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).