(3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C16H22N4O2 — CID 9364757

IUPAC(3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESN#CCCN(CCC#N)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H22N4O2/c17-7-3-9-19(10-4-8-18)16(22)13-11-15(21)20(12-13)14-5-1-2-6-14/h13-14H,1-6,9-12H2/t13-/m1/s1
InChIKeySQLZAXIHMMSNHW-CYBMUJFWSA-N
MW302.38 g/mol
LogP1.43
Rot. Bonds6

About (3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

(3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 9364757) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID9364757
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESN#CCCN(CCC#N)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H22N4O2/c17-7-3-9-19(10-4-8-18)16(22)13-11-15(21)20(12-13)14-5-1-2-6-14/h13-14H,1-6,9-12H2/t13-/m1/s1
InChIKeySQLZAXIHMMSNHW-CYBMUJFWSA-N
XLogP1.43
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 9364757) is (3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is N#CCCN(CCC#N)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SQLZAXIHMMSNHW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-7-3-9-19(10-4-8-18)16(22)13-11-15(21)20(12-13)14-5-1-2-6-14/h13-14H,1-6,9-12H2/t13-/m1/s1.
What are the key properties of (3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9364757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).