(2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone

C15H27NO — CID 116570195

IUPAC(2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1CCCCC1C(=O)C1(CC)CCNC1
InChIInChI=1S/C15H27NO/c1-3-12-7-5-6-8-13(12)14(17)15(4-2)9-10-16-11-15/h12-13,16H,3-11H2,1-2H3
InChIKeyTYYAMEYSAQACJG-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds4

About (2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone

(2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone (PubChem CID 116570195) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone
PubChem CID116570195
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1CCCCC1C(=O)C1(CC)CCNC1
InChIInChI=1S/C15H27NO/c1-3-12-7-5-6-8-13(12)14(17)15(4-2)9-10-16-11-15/h12-13,16H,3-11H2,1-2H3
InChIKeyTYYAMEYSAQACJG-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone?
The IUPAC name of (2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone (CID 116570195) is (2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone?
The canonical SMILES for (2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone is CCC1CCCCC1C(=O)C1(CC)CCNC1.
What is the InChIKey of (2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone?
The InChIKey is TYYAMEYSAQACJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-12-7-5-6-8-13(12)14(17)15(4-2)9-10-16-11-15/h12-13,16H,3-11H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone?
(2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone has a molecular weight of 237.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116570195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).