4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one

C12H22N2O — CID 61470304

IUPAC4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one
SMILESCCC1CCCCC1N1CC(N)CC1=O
InChIInChI=1S/C12H22N2O/c1-2-9-5-3-4-6-11(9)14-8-10(13)7-12(14)15/h9-11H,2-8,13H2,1H3
InChIKeyBEQOLUXYBAIGKR-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.51
Rot. Bonds2

About 4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one

4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one (PubChem CID 61470304) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one
PubChem CID61470304
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one
SMILESCCC1CCCCC1N1CC(N)CC1=O
InChIInChI=1S/C12H22N2O/c1-2-9-5-3-4-6-11(9)14-8-10(13)7-12(14)15/h9-11H,2-8,13H2,1H3
InChIKeyBEQOLUXYBAIGKR-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one (CID 61470304) is 4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one is CCC1CCCCC1N1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one?
The InChIKey is BEQOLUXYBAIGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-9-5-3-4-6-11(9)14-8-10(13)7-12(14)15/h9-11H,2-8,13H2,1H3.
What are the key properties of 4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one?
4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 61470304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).