3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol

C10H20N2O — CID 79503533

IUPAC3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1=NCCC1
InChIInChI=1S/C10H20N2O/c1-3-10(13,4-2)8-12-9-6-5-7-11-9/h13H,3-8H2,1-2H3,(H,11,12)
InChIKeyWILRZPUDRKLAQO-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.32
Rot. Bonds4

About 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol

3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol (PubChem CID 79503533) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol
PubChem CID79503533
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1=NCCC1
InChIInChI=1S/C10H20N2O/c1-3-10(13,4-2)8-12-9-6-5-7-11-9/h13H,3-8H2,1-2H3,(H,11,12)
InChIKeyWILRZPUDRKLAQO-UHFFFAOYSA-N
XLogP1.32
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol (CID 79503533) is 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol is CCC(O)(CC)CNC1=NCCC1.
What is the InChIKey of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol?
The InChIKey is WILRZPUDRKLAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-10(13,4-2)8-12-9-6-5-7-11-9/h13H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol?
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol has a molecular weight of 184.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-3-ol is sourced from PubChem (CID 79503533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).