[1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol

C12H20N2O — CID 66400247

IUPAC[1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol
SMILESCn1ccc(CNC2(CO)CCCC2)c1
InChIInChI=1S/C12H20N2O/c1-14-7-4-11(9-14)8-13-12(10-15)5-2-3-6-12/h4,7,9,13,15H,2-3,5-6,8,10H2,1H3
InChIKeyBBGFHAUWTGPGJQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.42
Rot. Bonds4

About [1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol

[1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol (PubChem CID 66400247) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is [1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol
PubChem CID66400247
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name[1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol
SMILESCn1ccc(CNC2(CO)CCCC2)c1
InChIInChI=1S/C12H20N2O/c1-14-7-4-11(9-14)8-13-12(10-15)5-2-3-6-12/h4,7,9,13,15H,2-3,5-6,8,10H2,1H3
InChIKeyBBGFHAUWTGPGJQ-UHFFFAOYSA-N
XLogP1.42
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol (CID 66400247) is [1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol is Cn1ccc(CNC2(CO)CCCC2)c1.
What is the InChIKey of [1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol?
The InChIKey is BBGFHAUWTGPGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14-7-4-11(9-14)8-13-12(10-15)5-2-3-6-12/h4,7,9,13,15H,2-3,5-6,8,10H2,1H3.
What are the key properties of [1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol?
[1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol has a molecular weight of 208.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 66400247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).