2-(cyclobutylmethyl)-1H-pyrrole

C9H13N — CID 150171465

IUPAC2-(cyclobutylmethyl)-1H-pyrrole
SMILESc1c[nH]c(CC2CCC2)c1
InChIInChI=1S/C9H13N/c1-3-8(4-1)7-9-5-2-6-10-9/h2,5-6,8,10H,1,3-4,7H2
InChIKeyIGYCODZAYADGAE-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.36
Rot. Bonds2

About 2-(cyclobutylmethyl)-1H-pyrrole

2-(cyclobutylmethyl)-1H-pyrrole (PubChem CID 150171465) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1H-pyrrole
PubChem CID150171465
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-(cyclobutylmethyl)-1H-pyrrole
SMILESc1c[nH]c(CC2CCC2)c1
InChIInChI=1S/C9H13N/c1-3-8(4-1)7-9-5-2-6-10-9/h2,5-6,8,10H,1,3-4,7H2
InChIKeyIGYCODZAYADGAE-UHFFFAOYSA-N
XLogP2.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine
CID 116926592
1-N,2-N-bis(1H-pyrrol-2-ylmethyl)cyclohexane-1,2-diamine
CID 70874382
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192
1-cyclopropyl-1,2-bis(1H-pyrrol-2-yl)ethanol
CID 57002372
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
2-(1H-pyrrol-2-ylmethyl)morpholine
CID 116927846
N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide
CID 110461302
(1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81396209
4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide
CID 115151023
N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115211459
2-cyclononyl-1H-pyrrole
CID 173176738
2-(cyclobutylmethyl)phenol
CID 115012772

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1H-pyrrole?
The IUPAC name of 2-(cyclobutylmethyl)-1H-pyrrole (CID 150171465) is 2-(cyclobutylmethyl)-1H-pyrrole.
What is the SMILES notation for 2-(cyclobutylmethyl)-1H-pyrrole?
The canonical SMILES for 2-(cyclobutylmethyl)-1H-pyrrole is c1c[nH]c(CC2CCC2)c1.
What is the InChIKey of 2-(cyclobutylmethyl)-1H-pyrrole?
The InChIKey is IGYCODZAYADGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-8(4-1)7-9-5-2-6-10-9/h2,5-6,8,10H,1,3-4,7H2.
What are the key properties of 2-(cyclobutylmethyl)-1H-pyrrole?
2-(cyclobutylmethyl)-1H-pyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1H-pyrrole is sourced from PubChem (CID 150171465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).