1-methanidyl-3-propan-2-ylpyrrolidin-3-ol

C8H16NO- — CID 59704491

IUPAC1-methanidyl-3-propan-2-ylpyrrolidin-3-ol
SMILES[CH2-]N1CCC(O)(C(C)C)C1
InChIInChI=1S/C8H16NO/c1-7(2)8(10)4-5-9(3)6-8/h7,10H,3-6H2,1-2H3/q-1
InChIKeySVOCOKAOZDYKPD-UHFFFAOYSA-N
MW142.22 g/mol
LogP0.87
Rot. Bonds1

About 1-methanidyl-3-propan-2-ylpyrrolidin-3-ol

1-methanidyl-3-propan-2-ylpyrrolidin-3-ol (PubChem CID 59704491) has the molecular formula C8H16NO- and a molecular weight of 142.22 g/mol. Its IUPAC name is 1-methanidyl-3-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-methanidyl-3-propan-2-ylpyrrolidin-3-ol
PubChem CID59704491
Molecular FormulaC8H16NO-
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name1-methanidyl-3-propan-2-ylpyrrolidin-3-ol
SMILES[CH2-]N1CCC(O)(C(C)C)C1
InChIInChI=1S/C8H16NO/c1-7(2)8(10)4-5-9(3)6-8/h7,10H,3-6H2,1-2H3/q-1
InChIKeySVOCOKAOZDYKPD-UHFFFAOYSA-N
XLogP0.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,3-di(propan-2-yl)pyrrolidin-3-ol
CID 171831461
4-hydroxy-4-propan-2-ylpiperidine-1-carboxamide
CID 118103374
1-methanidyl-3,3-dimethylpyrrolidine
CID 59704518
1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol
CID 131071118
1-phenyl-4-propan-2-ylpiperidin-4-ol
CID 106820875
2-methyl-6-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
CID 134410201
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220086
1-(2-methylsulfanyloxyethyl)-4-propan-2-ylpiperidin-4-ol
CID 174180938
2-methanidyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 59835771
1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol
CID 131042951
(1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol
CID 67160199

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-3-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 1-methanidyl-3-propan-2-ylpyrrolidin-3-ol (CID 59704491) is 1-methanidyl-3-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-methanidyl-3-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 1-methanidyl-3-propan-2-ylpyrrolidin-3-ol is [CH2-]N1CCC(O)(C(C)C)C1.
What is the InChIKey of 1-methanidyl-3-propan-2-ylpyrrolidin-3-ol?
The InChIKey is SVOCOKAOZDYKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-7(2)8(10)4-5-9(3)6-8/h7,10H,3-6H2,1-2H3/q-1.
What are the key properties of 1-methanidyl-3-propan-2-ylpyrrolidin-3-ol?
1-methanidyl-3-propan-2-ylpyrrolidin-3-ol has a molecular weight of 142.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-3-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 59704491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).