(2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide

C7H15N3O — CID 142498457

IUPAC(2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC[C@H]1CO
InChIInChI=1S/C7H15N3O/c1-9-7(8)10-4-2-3-6(10)5-11/h6,11H,2-5H2,1H3,(H2,8,9)/t6-/m0/s1
InChIKeyVCWWGCFCAOQXBO-LURJTMIESA-N
MW157.22 g/mol
LogP-0.61
Rot. Bonds1

About (2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide

(2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 142498457) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
PubChem CID142498457
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC[C@H]1CO
InChIInChI=1S/C7H15N3O/c1-9-7(8)10-4-2-3-6(10)5-11/h6,11H,2-5H2,1H3,(H2,8,9)/t6-/m0/s1
InChIKeyVCWWGCFCAOQXBO-LURJTMIESA-N
XLogP-0.61
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.61
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

4,4-Difluoro-2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 121204084
(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 129503171
(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 129503172
2-(Hydroxymethyl)pyrrolidine-1-carboximidamide
CID 18435489
2-(Dihydroxymethyl)pyrrolidine-1-carboximidamide
CID 20660162
(1-Ethanimidoylpyrrolidin-2-yl)methanol
CID 54182844
(2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 142498001
(2S)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide
CID 142498237
2-(Dihydroxymethyl)pyrrolidine-1-carboximidamide;methane
CID 161314405
(2R)-2-(hydroxymethyl)-N-propan-2-ylidenepyrrolidine-1-carboximidamide
CID 163809132
N'-ethenyl-2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 163888487
[(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol
CID 11217993

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide (CID 142498457) is (2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\N)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is VCWWGCFCAOQXBO-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O/c1-9-7(8)10-4-2-3-6(10)5-11/h6,11H,2-5H2,1H3,(H2,8,9)/t6-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
(2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 157.22 g/mol, XLogP of -0.61, 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'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 142498457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).