[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone

C13H23NO2 — CID 110027381

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
SMILESCC1(C(=O)N2CC[C@@H](O)C2)CCCCCC1
InChIInChI=1S/C13H23NO2/c1-13(7-4-2-3-5-8-13)12(16)14-9-6-11(15)10-14/h11,15H,2-10H2,1H3/t11-/m1/s1
InChIKeyHSUVLTKJBYFPQR-LLVKDONJSA-N
MW225.33 g/mol
LogP1.94
Rot. Bonds1

About [(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone (PubChem CID 110027381) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
PubChem CID110027381
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
SMILESCC1(C(=O)N2CC[C@@H](O)C2)CCCCCC1
InChIInChI=1S/C13H23NO2/c1-13(7-4-2-3-5-8-13)12(16)14-9-6-11(15)10-14/h11,15H,2-10H2,1H3/t11-/m1/s1
InChIKeyHSUVLTKJBYFPQR-LLVKDONJSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
CID 130162770
[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 107217447
(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 106829116
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
CID 105081761
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828121
(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 103840779
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895786
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 81002095
(1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217407
(1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426217

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone (CID 110027381) is [(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone is CC1(C(=O)N2CC[C@@H](O)C2)CCCCCC1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone?
The InChIKey is HSUVLTKJBYFPQR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(7-4-2-3-5-8-13)12(16)14-9-6-11(15)10-14/h11,15H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone has a molecular weight of 225.33 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone is sourced from PubChem (CID 110027381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).