acetic acid;2-methyl-1H-pyrrole

C7H11NO2 — CID 160915740

IUPACacetic acid;2-methyl-1H-pyrrole
SMILESCC(=O)O.Cc1ccc[nH]1
InChIInChI=1S/C5H7N.C2H4O2/c1-5-3-2-4-6-5;1-2(3)4/h2-4,6H,1H3;1H3,(H,3,4)
InChIKeySRJMGLVKMILQCC-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.41
Rot. Bonds

About acetic acid;2-methyl-1H-pyrrole

acetic acid;2-methyl-1H-pyrrole (PubChem CID 160915740) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is acetic acid;2-methyl-1H-pyrrole.

Molecular Properties

Compound Nameacetic acid;2-methyl-1H-pyrrole
PubChem CID160915740
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nameacetic acid;2-methyl-1H-pyrrole
SMILESCC(=O)O.Cc1ccc[nH]1
InChIInChI=1S/C5H7N.C2H4O2/c1-5-3-2-4-6-5;1-2(3)4/h2-4,6H,1H3;1H3,(H,3,4)
InChIKeySRJMGLVKMILQCC-UHFFFAOYSA-N
XLogP1.41
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methyl-1H-pyrrole?
The IUPAC name of acetic acid;2-methyl-1H-pyrrole (CID 160915740) is acetic acid;2-methyl-1H-pyrrole.
What is the SMILES notation for acetic acid;2-methyl-1H-pyrrole?
The canonical SMILES for acetic acid;2-methyl-1H-pyrrole is CC(=O)O.Cc1ccc[nH]1.
What is the InChIKey of acetic acid;2-methyl-1H-pyrrole?
The InChIKey is SRJMGLVKMILQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C2H4O2/c1-5-3-2-4-6-5;1-2(3)4/h2-4,6H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methyl-1H-pyrrole?
acetic acid;2-methyl-1H-pyrrole has a molecular weight of 141.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methyl-1H-pyrrole is sourced from PubChem (CID 160915740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).