(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone

C13H23NO — CID 116568230

IUPAC(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone
SMILESCCC1CCCC(C(=O)C2CCNC2)C1
InChIInChI=1S/C13H23NO/c1-2-10-4-3-5-11(8-10)13(15)12-6-7-14-9-12/h10-12,14H,2-9H2,1H3
InChIKeyIKTDLBOEDBIVOA-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.38
Rot. Bonds3

About (3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone

(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone (PubChem CID 116568230) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone
PubChem CID116568230
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone
SMILESCCC1CCCC(C(=O)C2CCNC2)C1
InChIInChI=1S/C13H23NO/c1-2-10-4-3-5-11(8-10)13(15)12-6-7-14-9-12/h10-12,14H,2-9H2,1H3
InChIKeyIKTDLBOEDBIVOA-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
(3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate
CID 81121055
(3-ethylcyclohexyl)-(oxan-4-yl)methanone
CID 65329371
(3-methylsulfonylcyclohexyl)-pyrrolidin-3-ylmethanone
CID 116568267
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
di(piperidin-3-yl)methanone
CID 69183047
(3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone
CID 116609466
(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79920973
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569887
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-ethylcyclohexyl)methanone
CID 116585944
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone
CID 116580693

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone (CID 116568230) is (3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone is CCC1CCCC(C(=O)C2CCNC2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone?
The InChIKey is IKTDLBOEDBIVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-10-4-3-5-11(8-10)13(15)12-6-7-14-9-12/h10-12,14H,2-9H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone?
(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone has a molecular weight of 209.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 116568230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).