(2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile

C11H17N3O — CID 11148450

IUPAC(2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile
SMILESC[C@H]1CC[C@@H](C#N)N1C(=O)N1CCCC1
InChIInChI=1S/C11H17N3O/c1-9-4-5-10(8-12)14(9)11(15)13-6-2-3-7-13/h9-10H,2-7H2,1H3/t9-,10-/m0/s1
InChIKeyTVWXDSMCLJBLHH-UWVGGRQHSA-N
MW207.28 g/mol
LogP1.58
Rot. Bonds

About (2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile

(2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile (PubChem CID 11148450) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile
PubChem CID11148450
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile
SMILESC[C@H]1CC[C@@H](C#N)N1C(=O)N1CCCC1
InChIInChI=1S/C11H17N3O/c1-9-4-5-10(8-12)14(9)11(15)13-6-2-3-7-13/h9-10H,2-7H2,1H3/t9-,10-/m0/s1
InChIKeyTVWXDSMCLJBLHH-UWVGGRQHSA-N
XLogP1.58
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-5-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile
CID 176757621
(2-ethyl-5-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 115887042
(2,6-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone
CID 79155469
bis(2,5-dimethylpyrrolidin-1-yl)methanone
CID 91030343
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 104967123
tert-butyl N-[(1S)-2-[(2S,5S)-2-cyano-5-methylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]carbamate
CID 66756849
1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile
CID 163978174
pentan-3-yl 2,5-dimethylpyrrolidine-1-carboxylate;pentan-3-yl pyrrolidine-1-carboxylate
CID 175585387
[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 97333243
1-[2-(methylamino)acetyl]pyrrolidine-2,5-dicarbonitrile
CID 91602269
(2S)-1-acetylazepane-2-carbonitrile
CID 125042026
1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile
CID 70210016

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile?
The IUPAC name of (2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile (CID 11148450) is (2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile is C[C@H]1CC[C@@H](C#N)N1C(=O)N1CCCC1.
What is the InChIKey of (2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile?
The InChIKey is TVWXDSMCLJBLHH-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-4-5-10(8-12)14(9)11(15)13-6-2-3-7-13/h9-10H,2-7H2,1H3/t9-,10-/m0/s1.
What are the key properties of (2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile?
(2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile has a molecular weight of 207.28 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 11148450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).