N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide

C11H21N3O2 — CID 77036265

IUPACN'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide
SMILESCC(C)CCC(=O)N1CCCC1C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-8(2)5-6-10(15)14-7-3-4-9(14)11(12)13-16/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyCUHDUNXFBVIHQW-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.16
Rot. Bonds4

About N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide

N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide (PubChem CID 77036265) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide
PubChem CID77036265
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide
SMILESCC(C)CCC(=O)N1CCCC1C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-8(2)5-6-10(15)14-7-3-4-9(14)11(12)13-16/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyCUHDUNXFBVIHQW-UHFFFAOYSA-N
XLogP1.16
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
CID 77036476
N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide
CID 77036233
N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
CID 77035994
N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
CID 77036368
N'-hydroxy-1-(3,4,4-trimethylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036440
2-[(2S)-1-(4-methylpentanoyl)piperidin-2-yl]acetamide
CID 95296140
N'-hydroxy-1-(2-methylhexanoyl)pyrrolidine-2-carboximidamide
CID 114246956
N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide
CID 77039261
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781
N'-hydroxy-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboximidamide
CID 104521804
N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide
CID 77041611

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide (CID 77036265) is N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide is CC(C)CCC(=O)N1CCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide?
The InChIKey is CUHDUNXFBVIHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)5-6-10(15)14-7-3-4-9(14)11(12)13-16/h8-9,16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide?
N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide has a molecular weight of 227.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).