oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate

C12H22N2O3 — CID 146799591

IUPACoxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate
SMILESCN(C[C@H]1CCNC1)C(=O)OC1CCOCC1
InChIInChI=1S/C12H22N2O3/c1-14(9-10-2-5-13-8-10)12(15)17-11-3-6-16-7-4-11/h10-11,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyRXQBNUJNDYVSRY-JTQLQIEISA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds3

About oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate

oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate (PubChem CID 146799591) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nameoxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate
PubChem CID146799591
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameoxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate
SMILESCN(C[C@H]1CCNC1)C(=O)OC1CCOCC1
InChIInChI=1S/C12H22N2O3/c1-14(9-10-2-5-13-8-10)12(15)17-11-3-6-16-7-4-11/h10-11,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyRXQBNUJNDYVSRY-JTQLQIEISA-N
XLogP0.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate
CID 54218239
N-methyl-N-(pyrrolidin-3-ylmethyl)acetamide;hydrochloride
CID 129319655
oxan-4-yl N-tert-butyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 175154394
N-methyl-N-(oxan-4-ylmethyl)-2-piperidin-4-yloxyacetamide
CID 63876942
N-methyl-N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 106627645
1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583468
oxolan-3-yl N-ethyl-N-methylcarbamate
CID 91397459
N-methyl-N-(oxan-4-ylmethyl)-3-piperidin-3-ylpropanamide
CID 63706973
(3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 81140981
N-methyl-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119814558
pyrrolidin-3-yl N,N-dimethylcarbamate
CID 54025595
methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate
CID 70517273

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate (CID 146799591) is oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate is CN(C[C@H]1CCNC1)C(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is RXQBNUJNDYVSRY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14(9-10-2-5-13-8-10)12(15)17-11-3-6-16-7-4-11/h10-11,13H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate?
oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 146799591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).