(2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide

C9H17N3O — CID 142498237

IUPAC(2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(C)C)N1CCC[C@H]1CO
InChIInChI=1S/C9H17N3O/c1-7(2)11-9(10)12-5-3-4-8(12)6-13/h8,10,13H,3-6H2,1-2H3/b10-9+/t8-/m0/s1
InChIKeyNLSNODIHZZDAED-VPOJCXOPSA-N
MW183.25 g/mol
LogP0.86
Rot. Bonds1

About (2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide

(2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide (PubChem CID 142498237) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide
PubChem CID142498237
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(C)C)N1CCC[C@H]1CO
InChIInChI=1S/C9H17N3O/c1-7(2)11-9(10)12-5-3-4-8(12)6-13/h8,10,13H,3-6H2,1-2H3/b10-9+/t8-/m0/s1
InChIKeyNLSNODIHZZDAED-VPOJCXOPSA-N
XLogP0.86
TPSA59.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(Hydroxymethyl)pyrrolidine-1-carboximidamide
CID 18435489
(1-Ethanimidoylpyrrolidin-2-yl)methanol
CID 54182844
(2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 142498457
(NZ)-2-(hydroxymethyl)-N-(3-methylbut-3-en-2-ylidene)pyrrolidine-1-carboximidamide
CID 142498495
[(2R)-1-(2-iminopropyl)pyrrolidin-2-yl]methanol
CID 156166539
2-(Dihydroxymethyl)pyrrolidine-1-carboximidamide;methane
CID 161314405
(2R)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide
CID 163809132
(S)-2-(Hydroxymethyl)pyrrolidine-1-carboximidamide
CID 12022521
2-(1-Hydroxyethyl)pyrrolidine-1-carboximidamide
CID 121201732
(2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboximidamide
CID 129495353
(2R)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide
CID 129495356
(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide
CID 129495358

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide (CID 142498237) is (2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide is [H]/N=C(\N=C(C)C)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide?
The InChIKey is NLSNODIHZZDAED-VPOJCXOPSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)11-9(10)12-5-3-4-8(12)6-13/h8,10,13H,3-6H2,1-2H3/b10-9+/t8-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide?
(2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide has a molecular weight of 183.25 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide is sourced from PubChem (CID 142498237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).