N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide

C9H15N3O2 — CID 130949306

IUPACN-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide
SMILESCC1CN(CC(=O)NCC#N)CC1O
InChIInChI=1S/C9H15N3O2/c1-7-4-12(5-8(7)13)6-9(14)11-3-2-10/h7-8,13H,3-6H2,1H3,(H,11,14)
InChIKeyCEASMWBHTWBJCA-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.06
Rot. Bonds3

About N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide

N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide (PubChem CID 130949306) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide
PubChem CID130949306
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide
SMILESCC1CN(CC(=O)NCC#N)CC1O
InChIInChI=1S/C9H15N3O2/c1-7-4-12(5-8(7)13)6-9(14)11-3-2-10/h7-8,13H,3-6H2,1H3,(H,11,14)
InChIKeyCEASMWBHTWBJCA-UHFFFAOYSA-N
XLogP-1.06
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(cyanomethylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684074
N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 62022097
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide
CID 106672092
N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
CID 55218311
N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide
CID 104930986
N-(2-aminoethyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114678035
N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847348
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
CID 63846958
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 114502335
N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848069
N-(cyanomethyl)-2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide
CID 113247488

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide (CID 130949306) is N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide is CC1CN(CC(=O)NCC#N)CC1O.
What is the InChIKey of N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide?
The InChIKey is CEASMWBHTWBJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-4-12(5-8(7)13)6-9(14)11-3-2-10/h7-8,13H,3-6H2,1H3,(H,11,14).
What are the key properties of N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide?
N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide has a molecular weight of 197.24 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 130949306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).