[(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol

C6H14N3O+ — CID 11217993

IUPAC[(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol
SMILESNC(N)=[N+]1CCC[C@@H]1CO
InChIInChI=1S/C6H13N3O/c7-6(8)9-3-1-2-5(9)4-10/h5,10H,1-4H2,(H3,7,8)/p+1/t5-/m1/s1
InChIKeyXKLXMNIZSMOGEF-RXMQYKEDSA-O
MW144.20 g/mol
LogP-1.57
Rot. Bonds1

About [(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol

[(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol (PubChem CID 11217993) has the molecular formula C6H14N3O+ and a molecular weight of 144.20 g/mol. Its IUPAC name is [(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol
PubChem CID11217993
Molecular FormulaC6H14N3O+
Molecular Weight144.20 g/mol
Exact Mass144.11
IUPAC Name[(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol
SMILESNC(N)=[N+]1CCC[C@@H]1CO
InChIInChI=1S/C6H13N3O/c7-6(8)9-3-1-2-5(9)4-10/h5,10H,1-4H2,(H3,7,8)/p+1/t5-/m1/s1
InChIKeyXKLXMNIZSMOGEF-RXMQYKEDSA-O
XLogP-1.57
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(Hydroxymethyl)pyrrolidine-1-carboximidamide
CID 18435489
(2S)-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 142498457
[(2S)-1-methylidenepyrrolidin-1-ium-2-yl]methanol
CID 152761406
[(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol nitrate
CID 11217992
(S)-2-(Hydroxymethyl)pyrrolidine-1-carboximidamide
CID 12022521
[1-(Diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol
CID 72755724
[(2S)-1-(1-aminoethylidene)pyrrolidin-1-ium-2-yl]methanol iodide
CID 133616913
[(2S)-1-(1-aminoethylidene)pyrrolidin-1-ium-2-yl]methanol
CID 133616914
[1-[Bis(methylamino)methylidene]pyrrolidin-1-ium-2-yl]methanol
CID 133632723
[amino-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methylidene]-dimethylazanium
CID 133633621
[1-[Amino(methylamino)methylidene]pyrrolidin-1-ium-2-yl]methanol iodide
CID 133663072
[1-[Amino(methylamino)methylidene]pyrrolidin-1-ium-2-yl]methanol
CID 133663073

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol?
The IUPAC name of [(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol (CID 11217993) is [(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol?
The canonical SMILES for [(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol is NC(N)=[N+]1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol?
The InChIKey is XKLXMNIZSMOGEF-RXMQYKEDSA-O. The full InChI is InChI=1S/C6H13N3O/c7-6(8)9-3-1-2-5(9)4-10/h5,10H,1-4H2,(H3,7,8)/p+1/t5-/m1/s1.
What are the key properties of [(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol?
[(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol has a molecular weight of 144.20 g/mol, XLogP of -1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(diaminomethylidene)pyrrolidin-1-ium-2-yl]methanol is sourced from PubChem (CID 11217993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).