(2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone

C12H22N2O — CID 23646031

IUPAC(2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone
SMILESN[C@H](C(=O)N1CCCC1)C1CCCCC1
InChIInChI=1S/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/m0/s1
InChIKeyRWNSISJNBAQNTF-NSHDSACASA-N
MW210.32 g/mol
LogP1.52
Rot. Bonds2

About (2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone

(2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone (PubChem CID 23646031) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone
PubChem CID23646031
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone
SMILESN[C@H](C(=O)N1CCCC1)C1CCCCC1
InChIInChI=1S/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/m0/s1
InChIKeyRWNSISJNBAQNTF-NSHDSACASA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone (CID 23646031) is (2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone is N[C@H](C(=O)N1CCCC1)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone?
The InChIKey is RWNSISJNBAQNTF-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone?
(2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone has a molecular weight of 210.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 23646031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).