1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one

C14H24N2O — CID 54972926

IUPAC1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(C(C2CC2)C2CC2)C1=O
InChIInChI=1S/C14H24N2O/c1-2-8-15-12-7-9-16(14(12)17)13(10-3-4-10)11-5-6-11/h10-13,15H,2-9H2,1H3
InChIKeyFJAIMNCUSZGEGC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds6

About 1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one

1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one (PubChem CID 54972926) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one
PubChem CID54972926
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one
SMILESCCCNC1CCN(C(C2CC2)C2CC2)C1=O
InChIInChI=1S/C14H24N2O/c1-2-8-15-12-7-9-16(14(12)17)13(10-3-4-10)11-5-6-11/h10-13,15H,2-9H2,1H3
InChIKeyFJAIMNCUSZGEGC-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one?
The IUPAC name of 1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one (CID 54972926) is 1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one is CCCNC1CCN(C(C2CC2)C2CC2)C1=O.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one?
The InChIKey is FJAIMNCUSZGEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-8-15-12-7-9-16(14(12)17)13(10-3-4-10)11-5-6-11/h10-13,15H,2-9H2,1H3.
What are the key properties of 1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one?
1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one has a molecular weight of 236.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-(propylamino)pyrrolidin-2-one is sourced from PubChem (CID 54972926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).