(4-aminopyrrolidin-3-yl)methanol

C5H12N2O — CID 15070031

IUPAC(4-aminopyrrolidin-3-yl)methanol
SMILESNC1CNCC1CO
InChIInChI=1S/C5H12N2O/c6-5-2-7-1-4(5)3-8/h4-5,7-8H,1-3,6H2
InChIKeyLLXSCSIQSWFARG-UHFFFAOYSA-N
MW116.16 g/mol
LogP-1.47
Rot. Bonds1

About (4-aminopyrrolidin-3-yl)methanol

(4-aminopyrrolidin-3-yl)methanol (PubChem CID 15070031) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (4-aminopyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(4-aminopyrrolidin-3-yl)methanol
PubChem CID15070031
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(4-aminopyrrolidin-3-yl)methanol
SMILESNC1CNCC1CO
InChIInChI=1S/C5H12N2O/c6-5-2-7-1-4(5)3-8/h4-5,7-8H,1-3,6H2
InChIKeyLLXSCSIQSWFARG-UHFFFAOYSA-N
XLogP-1.47
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminopyrrolidin-3-yl)methanol?
The IUPAC name of (4-aminopyrrolidin-3-yl)methanol (CID 15070031) is (4-aminopyrrolidin-3-yl)methanol.
What is the SMILES notation for (4-aminopyrrolidin-3-yl)methanol?
The canonical SMILES for (4-aminopyrrolidin-3-yl)methanol is NC1CNCC1CO.
What is the InChIKey of (4-aminopyrrolidin-3-yl)methanol?
The InChIKey is LLXSCSIQSWFARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-5-2-7-1-4(5)3-8/h4-5,7-8H,1-3,6H2.
What are the key properties of (4-aminopyrrolidin-3-yl)methanol?
(4-aminopyrrolidin-3-yl)methanol has a molecular weight of 116.16 g/mol, XLogP of -1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopyrrolidin-3-yl)methanol is sourced from PubChem (CID 15070031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).