cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone

C15H20N2O2 — CID 110202842

IUPACcyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1ccncc1
InChIInChI=1S/C15H20N2O2/c1-19-10-13-8-17(15(18)12-2-3-12)9-14(13)11-4-6-16-7-5-11/h4-7,12-14H,2-3,8-10H2,1H3/t13-,14-/m0/s1
InChIKeySEJQTVQCRORLSM-KBPBESRZSA-N
MW260.34 g/mol
LogP1.68
Rot. Bonds4

About cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone

cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 110202842) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
PubChem CID110202842
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namecyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1ccncc1
InChIInChI=1S/C15H20N2O2/c1-19-10-13-8-17(15(18)12-2-3-12)9-14(13)11-4-6-16-7-5-11/h4-7,12-14H,2-3,8-10H2,1H3/t13-,14-/m0/s1
InChIKeySEJQTVQCRORLSM-KBPBESRZSA-N
XLogP1.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone (CID 110202842) is cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone is COC[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1ccncc1.
What is the InChIKey of cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is SEJQTVQCRORLSM-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-10-13-8-17(15(18)12-2-3-12)9-14(13)11-4-6-16-7-5-11/h4-7,12-14H,2-3,8-10H2,1H3/t13-,14-/m0/s1.
What are the key properties of cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone?
cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 110202842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).