N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C14H21F3N2O — CID 63708593

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)13(7-9-18-10-13)12(20)19-8-6-11-4-2-1-3-5-11/h4,18H,1-3,5-10H2,(H,19,20)
InChIKeyOJPMDQCSMWMGIG-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.54
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708593) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708593
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)13(7-9-18-10-13)12(20)19-8-6-11-4-2-1-3-5-11/h4,18H,1-3,5-10H2,(H,19,20)
InChIKeyOJPMDQCSMWMGIG-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
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 N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708593) is N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is OJPMDQCSMWMGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c15-14(16,17)13(7-9-18-10-13)12(20)19-8-6-11-4-2-1-3-5-11/h4,18H,1-3,5-10H2,(H,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).