2-(pyrrolidin-1-ylmethyl)-1H-pyrrole

C9H14N2 — CID 4252451

IUPAC2-(pyrrolidin-1-ylmethyl)-1H-pyrrole
SMILESc1c[nH]c(CN2CCCC2)c1
InChIInChI=1S/C9H14N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h3-5,10H,1-2,6-8H2
InChIKeyNRKNJIJDIANODL-UHFFFAOYSA-N
MW150.23 g/mol
LogP1.61
Rot. Bonds2

About 2-(pyrrolidin-1-ylmethyl)-1H-pyrrole

2-(pyrrolidin-1-ylmethyl)-1H-pyrrole (PubChem CID 4252451) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-1H-pyrrole
PubChem CID4252451
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name2-(pyrrolidin-1-ylmethyl)-1H-pyrrole
SMILESc1c[nH]c(CN2CCCC2)c1
InChIInChI=1S/C9H14N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h3-5,10H,1-2,6-8H2
InChIKeyNRKNJIJDIANODL-UHFFFAOYSA-N
XLogP1.61
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12677274
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CID 137075
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CID 413448
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CID 11805737
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CID 9837971
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CID 16747994
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CID 16748111
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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)-1H-pyrrole?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-1H-pyrrole (CID 4252451) is 2-(pyrrolidin-1-ylmethyl)-1H-pyrrole.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-1H-pyrrole?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-1H-pyrrole is c1c[nH]c(CN2CCCC2)c1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-1H-pyrrole?
The InChIKey is NRKNJIJDIANODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h3-5,10H,1-2,6-8H2.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-1H-pyrrole?
2-(pyrrolidin-1-ylmethyl)-1H-pyrrole has a molecular weight of 150.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-1H-pyrrole is sourced from PubChem (CID 4252451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).