2-cyclononyl-1H-pyrrole

C13H21N — CID 173176738

IUPAC2-cyclononyl-1H-pyrrole
SMILESc1c[nH]c(C2CCCCCCCC2)c1
InChIInChI=1S/C13H21N/c1-2-4-6-9-12(8-5-3-1)13-10-7-11-14-13/h7,10-12,14H,1-6,8-9H2
InChIKeyZKCANUIKLWPJQD-UHFFFAOYSA-N
MW191.32 g/mol
LogP4.23
Rot. Bonds1

About 2-cyclononyl-1H-pyrrole

2-cyclononyl-1H-pyrrole (PubChem CID 173176738) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-cyclononyl-1H-pyrrole.

Molecular Properties

Compound Name2-cyclononyl-1H-pyrrole
PubChem CID173176738
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-cyclononyl-1H-pyrrole
SMILESc1c[nH]c(C2CCCCCCCC2)c1
InChIInChI=1S/C13H21N/c1-2-4-6-9-12(8-5-3-1)13-10-7-11-14-13/h7,10-12,14H,1-6,8-9H2
InChIKeyZKCANUIKLWPJQD-UHFFFAOYSA-N
XLogP4.23
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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2-(oxan-2-yl)-1H-pyrrole
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CID 130674193
cyclohexyl(1H-pyrrol-2-yl)methanone
CID 13432026
1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine
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2-cyclohexyl-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 2-cyclononyl-1H-pyrrole?
The IUPAC name of 2-cyclononyl-1H-pyrrole (CID 173176738) is 2-cyclononyl-1H-pyrrole.
What is the SMILES notation for 2-cyclononyl-1H-pyrrole?
The canonical SMILES for 2-cyclononyl-1H-pyrrole is c1c[nH]c(C2CCCCCCCC2)c1.
What is the InChIKey of 2-cyclononyl-1H-pyrrole?
The InChIKey is ZKCANUIKLWPJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-4-6-9-12(8-5-3-1)13-10-7-11-14-13/h7,10-12,14H,1-6,8-9H2.
What are the key properties of 2-cyclononyl-1H-pyrrole?
2-cyclononyl-1H-pyrrole has a molecular weight of 191.32 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclononyl-1H-pyrrole is sourced from PubChem (CID 173176738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).