[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone

C15H20N2O2 — CID 62849882

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCCN2)N1CCCC1CO
InChIInChI=1S/C15H20N2O2/c18-10-11-4-3-9-17(11)15(19)13-5-1-7-14-12(13)6-2-8-16-14/h1,5,7,11,16,18H,2-4,6,8-10H2
InChIKeyCHFYJYIRYLFZCU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds2

About [2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (PubChem CID 62849882) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
PubChem CID62849882
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCCN2)N1CCCC1CO
InChIInChI=1S/C15H20N2O2/c18-10-11-4-3-9-17(11)15(19)13-5-1-7-14-12(13)6-2-8-16-14/h1,5,7,11,16,18H,2-4,6,8-10H2
InChIKeyCHFYJYIRYLFZCU-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850426
1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 62848480
2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849199
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 55126550
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 107217199
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
[(3R)-3-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 94881679
(4-propylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850423
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 66261712
[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 63978245
(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (CID 62849882) is [2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is O=C(c1cccc2c1CCCN2)N1CCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The InChIKey is CHFYJYIRYLFZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-10-11-4-3-9-17(11)15(19)13-5-1-7-14-12(13)6-2-8-16-14/h1,5,7,11,16,18H,2-4,6,8-10H2.
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is sourced from PubChem (CID 62849882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).