2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone

C12H22N2O — CID 11229581

IUPAC2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNC1CCCCC1)N1CCCC1
InChIInChI=1S/C12H22N2O/c15-12(14-8-4-5-9-14)10-13-11-6-2-1-3-7-11/h11,13H,1-10H2
InChIKeyWXDNUNFMTLIPTA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.53
Rot. Bonds3

About 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone

2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 11229581) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone
PubChem CID11229581
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNC1CCCCC1)N1CCCC1
InChIInChI=1S/C12H22N2O/c15-12(14-8-4-5-9-14)10-13-11-6-2-1-3-7-11/h11,13H,1-10H2
InChIKeyWXDNUNFMTLIPTA-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone (CID 11229581) is 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone is O=C(CNC1CCCCC1)N1CCCC1.
What is the InChIKey of 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is WXDNUNFMTLIPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12(14-8-4-5-9-14)10-13-11-6-2-1-3-7-11/h11,13H,1-10H2.
What are the key properties of 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone?
2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 210.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 11229581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).