(3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone

C11H19NO2 — CID 107138363

IUPAC(3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
SMILESCC1(C(=O)C2CCCOC2)CCNC1
InChIInChI=1S/C11H19NO2/c1-11(4-5-12-8-11)10(13)9-3-2-6-14-7-9/h9,12H,2-8H2,1H3
InChIKeyKVLUCAFYLMSBBV-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.98
Rot. Bonds2

About (3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone

(3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone (PubChem CID 107138363) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
PubChem CID107138363
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
SMILESCC1(C(=O)C2CCCOC2)CCNC1
InChIInChI=1S/C11H19NO2/c1-11(4-5-12-8-11)10(13)9-3-2-6-14-7-9/h9,12H,2-8H2,1H3
InChIKeyKVLUCAFYLMSBBV-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569887
(2-methyloxolan-2-yl)-(oxan-3-yl)methanone
CID 107135958
(3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569925
(4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570043
N,3-dimethyl-N-(oxolan-3-yl)pyrrolidine-3-carboxamide
CID 82738226
N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 63139219
oxetan-3-yl 3-methylpyrrolidine-3-carboxylate
CID 102606737
[1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone
CID 107138477
[(3R)-oxan-3-yl]-[(3R)-piperidin-3-yl]methanone
CID 124675211
(3R)-oxane-3-carboxylic acid
CID 42554318
(3-methylmorpholin-4-yl)-(3-methylpiperidin-3-yl)methanone
CID 63130450
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone?
The IUPAC name of (3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone (CID 107138363) is (3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone is CC1(C(=O)C2CCCOC2)CCNC1.
What is the InChIKey of (3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone?
The InChIKey is KVLUCAFYLMSBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(4-5-12-8-11)10(13)9-3-2-6-14-7-9/h9,12H,2-8H2,1H3.
What are the key properties of (3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone?
(3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone has a molecular weight of 197.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 107138363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).