3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol

C17H26N2O2 — CID 77439017

IUPAC3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol
SMILESOCC(CN1CCCC1CO)NCC=Cc1ccccc1
InChIInChI=1S/C17H26N2O2/c20-13-16(12-19-11-5-9-17(19)14-21)18-10-4-8-15-6-2-1-3-7-15/h1-4,6-8,16-18,20-21H,5,9-14H2
InChIKeyMMNBNFAFXQLFNE-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.11
Rot. Bonds8

About 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol

3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol (PubChem CID 77439017) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol
PubChem CID77439017
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol
SMILESOCC(CN1CCCC1CO)NCC=Cc1ccccc1
InChIInChI=1S/C17H26N2O2/c20-13-16(12-19-11-5-9-17(19)14-21)18-10-4-8-15-6-2-1-3-7-15/h1-4,6-8,16-18,20-21H,5,9-14H2
InChIKeyMMNBNFAFXQLFNE-UHFFFAOYSA-N
XLogP1.11
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol?
The IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol (CID 77439017) is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol.
What is the SMILES notation for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol?
The canonical SMILES for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol is OCC(CN1CCCC1CO)NCC=Cc1ccccc1.
What is the InChIKey of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol?
The InChIKey is MMNBNFAFXQLFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-13-16(12-19-11-5-9-17(19)14-21)18-10-4-8-15-6-2-1-3-7-15/h1-4,6-8,16-18,20-21H,5,9-14H2.
What are the key properties of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol?
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol has a molecular weight of 290.41 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol is sourced from PubChem (CID 77439017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).