3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol

C9H16N2O — CID 79504188

IUPAC3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNC2=NCCC2)C1
InChIInChI=1S/C9H16N2O/c12-8-4-7(5-8)6-11-9-2-1-3-10-9/h7-8,12H,1-6H2,(H,10,11)
InChIKeyARIHQVBHASRNSC-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.54
Rot. Bonds2

About 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol

3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol (PubChem CID 79504188) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol
PubChem CID79504188
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNC2=NCCC2)C1
InChIInChI=1S/C9H16N2O/c12-8-4-7(5-8)6-11-9-2-1-3-10-9/h7-8,12H,1-6H2,(H,10,11)
InChIKeyARIHQVBHASRNSC-UHFFFAOYSA-N
XLogP0.54
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.54
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]cyclobutan-1-ol?
The IUPAC name of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol (CID 79504188) is 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol is OC1CC(CNC2=NCCC2)C1.
What is the InChIKey of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol?
The InChIKey is ARIHQVBHASRNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-8-4-7(5-8)6-11-9-2-1-3-10-9/h7-8,12H,1-6H2,(H,10,11).
What are the key properties of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol?
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclobutan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 0.54, 2 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]cyclobutan-1-ol is sourced from PubChem (CID 79504188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).