[5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone

C11H16N2O — CID 82504980

IUPAC[5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone
SMILESNCc1cc(C(=O)C2CCCC2)c[nH]1
InChIInChI=1S/C11H16N2O/c12-6-10-5-9(7-13-10)11(14)8-3-1-2-4-8/h5,7-8,13H,1-4,6,12H2
InChIKeyNXJOSQYXWJESQQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.85
Rot. Bonds3

About [5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone

[5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone (PubChem CID 82504980) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone
PubChem CID82504980
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone
SMILESNCc1cc(C(=O)C2CCCC2)c[nH]1
InChIInChI=1S/C11H16N2O/c12-6-10-5-9(7-13-10)11(14)8-3-1-2-4-8/h5,7-8,13H,1-4,6,12H2
InChIKeyNXJOSQYXWJESQQ-UHFFFAOYSA-N
XLogP1.85
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone?
The IUPAC name of [5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone (CID 82504980) is [5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone.
What is the SMILES notation for [5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone?
The canonical SMILES for [5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone is NCc1cc(C(=O)C2CCCC2)c[nH]1.
What is the InChIKey of [5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone?
The InChIKey is NXJOSQYXWJESQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-6-10-5-9(7-13-10)11(14)8-3-1-2-4-8/h5,7-8,13H,1-4,6,12H2.
What are the key properties of [5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone?
[5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone has a molecular weight of 192.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-1H-pyrrol-3-yl]-cyclopentylmethanone is sourced from PubChem (CID 82504980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).