2-methyl-1-propanimidoylpyrrolidine-3,4-diol

C8H16N2O2 — CID 123459270

IUPAC2-methyl-1-propanimidoylpyrrolidine-3,4-diol
SMILES[H]/N=C(\CC)N1CC(O)C(O)C1C
InChIInChI=1S/C8H16N2O2/c1-3-7(9)10-4-6(11)8(12)5(10)2/h5-6,8-9,11-12H,3-4H2,1-2H3/b9-7+
InChIKeyWQMWONCHSWHSRF-VQHVLOKHSA-N
MW172.23 g/mol
LogP-0.20
Rot. Bonds1

About 2-methyl-1-propanimidoylpyrrolidine-3,4-diol

2-methyl-1-propanimidoylpyrrolidine-3,4-diol (PubChem CID 123459270) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-methyl-1-propanimidoylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name2-methyl-1-propanimidoylpyrrolidine-3,4-diol
PubChem CID123459270
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-methyl-1-propanimidoylpyrrolidine-3,4-diol
SMILES[H]/N=C(\CC)N1CC(O)C(O)C1C
InChIInChI=1S/C8H16N2O2/c1-3-7(9)10-4-6(11)8(12)5(10)2/h5-6,8-9,11-12H,3-4H2,1-2H3/b9-7+
InChIKeyWQMWONCHSWHSRF-VQHVLOKHSA-N
XLogP-0.20
TPSA67.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Ethane;1-ethanimidoylpyrrolidin-3-ol
CID 145296457
1-Butanimidoylpyrrolidin-3-ol
CID 163544855
3-(3-Hydroxypyrrolidin-1-yl)pentanimidamide
CID 62943568
1-Butanimidoyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052042
5-[(Dimethylamino)methyl]-1-propanimidoylpyrrolidin-3-ol
CID 66052430
5-[(Dimethylamino)methyl]-1-(2-methylpropanimidoyl)pyrrolidin-3-ol
CID 66052623
5-[(Dimethylamino)methyl]-1-ethanimidoylpyrrolidin-3-ol
CID 66052816
1-(Cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052817
5-[(Dimethylamino)methyl]-1-(2,2-dimethylpropanimidoyl)pyrrolidin-3-ol
CID 66053009
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide
CID 106669747
3-(3,4-Dihydroxypyrrolidin-1-yl)pentanimidamide
CID 106669793
2-(3,4-Dihydroxypyrrolidin-1-yl)butanimidamide
CID 106669798

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propanimidoylpyrrolidine-3,4-diol?
The IUPAC name of 2-methyl-1-propanimidoylpyrrolidine-3,4-diol (CID 123459270) is 2-methyl-1-propanimidoylpyrrolidine-3,4-diol.
What is the SMILES notation for 2-methyl-1-propanimidoylpyrrolidine-3,4-diol?
The canonical SMILES for 2-methyl-1-propanimidoylpyrrolidine-3,4-diol is [H]/N=C(\CC)N1CC(O)C(O)C1C.
What is the InChIKey of 2-methyl-1-propanimidoylpyrrolidine-3,4-diol?
The InChIKey is WQMWONCHSWHSRF-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-7(9)10-4-6(11)8(12)5(10)2/h5-6,8-9,11-12H,3-4H2,1-2H3/b9-7+.
What are the key properties of 2-methyl-1-propanimidoylpyrrolidine-3,4-diol?
2-methyl-1-propanimidoylpyrrolidine-3,4-diol has a molecular weight of 172.23 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propanimidoylpyrrolidine-3,4-diol is sourced from PubChem (CID 123459270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).