2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone

C12H20N2O — CID 54362150

IUPAC2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNC1CC=CCC1)N1CCCC1
InChIInChI=1S/C12H20N2O/c15-12(14-8-4-5-9-14)10-13-11-6-2-1-3-7-11/h1-2,11,13H,3-10H2
InChIKeyUNFYPBNISJMHRT-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.31
Rot. Bonds3

About 2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone

2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 54362150) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone
PubChem CID54362150
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNC1CC=CCC1)N1CCCC1
InChIInChI=1S/C12H20N2O/c15-12(14-8-4-5-9-14)10-13-11-6-2-1-3-7-11/h1-2,11,13H,3-10H2
InChIKeyUNFYPBNISJMHRT-UHFFFAOYSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone (CID 54362150) is 2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone is O=C(CNC1CC=CCC1)N1CCCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is UNFYPBNISJMHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(14-8-4-5-9-14)10-13-11-6-2-1-3-7-11/h1-2,11,13H,3-10H2.
What are the key properties of 2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone?
2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 208.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 54362150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).