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

C15H22N4O2 — CID 9399767

IUPAC(3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@H](C(=O)N(CCC#N)CCC#N)CC1=O
InChIInChI=1S/C15H22N4O2/c1-2-3-8-19-12-13(11-14(19)20)15(21)18(9-4-6-16)10-5-7-17/h13H,2-5,8-12H2,1H3/t13-/m1/s1
InChIKeyYJRBGLYKKHABAL-CYBMUJFWSA-N
MW290.37 g/mol
LogP1.29
Rot. Bonds8

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

(3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9399767) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9399767
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@H](C(=O)N(CCC#N)CCC#N)CC1=O
InChIInChI=1S/C15H22N4O2/c1-2-3-8-19-12-13(11-14(19)20)15(21)18(9-4-6-16)10-5-7-17/h13H,2-5,8-12H2,1H3/t13-/m1/s1
InChIKeyYJRBGLYKKHABAL-CYBMUJFWSA-N
XLogP1.29
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 17082660
1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 113182555
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
(3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364757
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676
N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080781
1-butyl-N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113182011
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476

Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide (CID 9399767) is (3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide is CCCCN1C[C@H](C(=O)N(CCC#N)CCC#N)CC1=O.
What is the InChIKey of (3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YJRBGLYKKHABAL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-3-8-19-12-13(11-14(19)20)15(21)18(9-4-6-16)10-5-7-17/h13H,2-5,8-12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9399767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).