3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one

C14H22N2O — CID 114095497

IUPAC3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one
SMILESCCNC1CCN(C2C3C4CCC(C4)C32)C1=O
InChIInChI=1S/C14H22N2O/c1-2-15-10-5-6-16(14(10)17)13-11-8-3-4-9(7-8)12(11)13/h8-13,15H,2-7H2,1H3
InChIKeyOMQVPMRJMPCWAP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.24
Rot. Bonds3

About 3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one

3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one (PubChem CID 114095497) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one
PubChem CID114095497
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one
SMILESCCNC1CCN(C2C3C4CCC(C4)C32)C1=O
InChIInChI=1S/C14H22N2O/c1-2-15-10-5-6-16(14(10)17)13-11-8-3-4-9(7-8)12(11)13/h8-13,15H,2-7H2,1H3
InChIKeyOMQVPMRJMPCWAP-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one (CID 114095497) is 3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one is CCNC1CCN(C2C3C4CCC(C4)C32)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one?
The InChIKey is OMQVPMRJMPCWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-15-10-5-6-16(14(10)17)13-11-8-3-4-9(7-8)12(11)13/h8-13,15H,2-7H2,1H3.
What are the key properties of 3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one?
3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one has a molecular weight of 234.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(3-tricyclo[3.2.1.02,4]octanyl)pyrrolidin-2-one is sourced from PubChem (CID 114095497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).