(1-methanidylpyrrolidin-3-yl)methanol

C6H12NO- — CID 59130930

IUPAC(1-methanidylpyrrolidin-3-yl)methanol
SMILES[CH2-]N1CCC(CO)C1
InChIInChI=1S/C6H12NO/c1-7-3-2-6(4-7)5-8/h6,8H,1-5H2/q-1
InChIKeyGAFCPKGGTCIONP-UHFFFAOYSA-N
MW114.17 g/mol
LogP0.09
Rot. Bonds1

About (1-methanidylpyrrolidin-3-yl)methanol

(1-methanidylpyrrolidin-3-yl)methanol (PubChem CID 59130930) has the molecular formula C6H12NO- and a molecular weight of 114.17 g/mol. Its IUPAC name is (1-methanidylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-methanidylpyrrolidin-3-yl)methanol
PubChem CID59130930
Molecular FormulaC6H12NO-
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name(1-methanidylpyrrolidin-3-yl)methanol
SMILES[CH2-]N1CCC(CO)C1
InChIInChI=1S/C6H12NO/c1-7-3-2-6(4-7)5-8/h6,8H,1-5H2/q-1
InChIKeyGAFCPKGGTCIONP-UHFFFAOYSA-N
XLogP0.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 50.09
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-Pyrrolidinepropanol
CID 209342
(1-Methylpyrrolidin-3-yl)methanol
CID 295970
D-beta-Prolinol
CID 7446913
(Pyrrolidin-3-yl)methanol
CID 13400657
(1-Isopropylpyrrolidin-3-yl)methanol
CID 16641305
(1-Ethylpyrrolidin-3-yl)methanol
CID 21702849
(1-Cyclopropylpyrrolidin-3-yl)methanol
CID 24275425
2-Methyl-3-(pyrrolidin-1-yl)propan-1-ol
CID 25219176
((3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl)methanol
CID 134249504
1-Methylpyrrolidin-2-ol
CID 111279
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
(3S)-3-Pyrrolidinemethanol
CID 7446911

Frequently Asked Questions

What is the IUPAC name of (1-methanidylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-methanidylpyrrolidin-3-yl)methanol (CID 59130930) is (1-methanidylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-methanidylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-methanidylpyrrolidin-3-yl)methanol is [CH2-]N1CCC(CO)C1.
What is the InChIKey of (1-methanidylpyrrolidin-3-yl)methanol?
The InChIKey is GAFCPKGGTCIONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO/c1-7-3-2-6(4-7)5-8/h6,8H,1-5H2/q-1.
What are the key properties of (1-methanidylpyrrolidin-3-yl)methanol?
(1-methanidylpyrrolidin-3-yl)methanol has a molecular weight of 114.17 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methanidylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 59130930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).