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

C10H18N2O — CID 79503349

IUPAC2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNC1=NCCC1
InChIInChI=1S/C10H18N2O/c13-9-4-1-3-8(9)7-12-10-5-2-6-11-10/h8-9,13H,1-7H2,(H,11,12)
InChIKeyTWMADRBIOABYEO-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.93
Rot. Bonds2

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

2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol (PubChem CID 79503349) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol
PubChem CID79503349
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNC1=NCCC1
InChIInChI=1S/C10H18N2O/c13-9-4-1-3-8(9)7-12-10-5-2-6-11-10/h8-9,13H,1-7H2,(H,11,12)
InChIKeyTWMADRBIOABYEO-UHFFFAOYSA-N
XLogP0.93
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol (CID 79503349) is 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol is OC1CCCC1CNC1=NCCC1.
What is the InChIKey of 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is TWMADRBIOABYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c13-9-4-1-3-8(9)7-12-10-5-2-6-11-10/h8-9,13H,1-7H2,(H,11,12).
What are the key properties of 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol?
2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 79503349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).