N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide

C12H21N3O2 — CID 113321912

IUPACN-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESCC(O)CC1CCCN1CC(=O)NCCC#N
InChIInChI=1S/C12H21N3O2/c1-10(16)8-11-4-2-7-15(11)9-12(17)14-6-3-5-13/h10-11,16H,2-4,6-9H2,1H3,(H,14,17)
InChIKeyHVTZHNMNVAUDGA-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.25
Rot. Bonds6

About N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide

N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide (PubChem CID 113321912) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide
PubChem CID113321912
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESCC(O)CC1CCCN1CC(=O)NCCC#N
InChIInChI=1S/C12H21N3O2/c1-10(16)8-11-4-2-7-15(11)9-12(17)14-6-3-5-13/h10-11,16H,2-4,6-9H2,1H3,(H,14,17)
InChIKeyHVTZHNMNVAUDGA-UHFFFAOYSA-N
XLogP0.25
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide
CID 115312682
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide
CID 63847341
N-(2-cyanoethyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241526
(2R)-2-[4-[2-[(2S)-2-[(2S)-2-hydroxypropyl]pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-methylbutanenitrile
CID 100903636
2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370340
2-[1-[2-(2-cyanoethylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683710
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
2-(2-ethylpiperidin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43509674
2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone
CID 114338646
N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide
CID 114338248
ethyl 1-[2-(2-cyanoethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 46650338
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide (CID 113321912) is N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide is CC(O)CC1CCCN1CC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The InChIKey is HVTZHNMNVAUDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(16)8-11-4-2-7-15(11)9-12(17)14-6-3-5-13/h10-11,16H,2-4,6-9H2,1H3,(H,14,17).
What are the key properties of N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide?
N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 113321912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).