(5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C16H26N2O2 — CID 94885599

IUPAC(5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC[C@@H]2CC2CCCCC2)N1
InChIInChI=1S/C16H26N2O2/c19-15-9-8-14(17-15)16(20)18-10-4-7-13(18)11-12-5-2-1-3-6-12/h12-14H,1-11H2,(H,17,19)/t13-,14+/m1/s1
InChIKeyMQRIZNUFMPLAEX-KGLIPLIRSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds3

About (5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 94885599) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID94885599
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC[C@@H]2CC2CCCCC2)N1
InChIInChI=1S/C16H26N2O2/c19-15-9-8-14(17-15)16(20)18-10-4-7-13(18)11-12-5-2-1-3-6-12/h12-14H,1-11H2,(H,17,19)/t13-,14+/m1/s1
InChIKeyMQRIZNUFMPLAEX-KGLIPLIRSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 43572839
(5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 114039546
(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95351095
(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 13306589
(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 66264258
(5R)-5-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240251
(5R)-5-[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240250
(5R)-5-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240252
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308483
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
5-[3-[(dimethylamino)methyl]-1,4-thiazepane-4-carbonyl]pyrrolidin-2-one
CID 90568020
(2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 94744585

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 94885599) is (5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCC[C@@H]2CC2CCCCC2)N1.
What is the InChIKey of (5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MQRIZNUFMPLAEX-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-15-9-8-14(17-15)16(20)18-10-4-7-13(18)11-12-5-2-1-3-6-12/h12-14H,1-11H2,(H,17,19)/t13-,14+/m1/s1.
What are the key properties of (5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94885599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).