1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid

C9H11NO2 — CID 116928765

IUPAC1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc[nH]2)CC1
InChIInChI=1S/C9H11NO2/c11-8(12)9(3-4-9)6-7-2-1-5-10-7/h1-2,5,10H,3-4,6H2,(H,11,12)
InChIKeyZPOVGTYCOTVZTC-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.42
Rot. Bonds3

About 1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid

1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid (PubChem CID 116928765) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid
PubChem CID116928765
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc[nH]2)CC1
InChIInChI=1S/C9H11NO2/c11-8(12)9(3-4-9)6-7-2-1-5-10-7/h1-2,5,10H,3-4,6H2,(H,11,12)
InChIKeyZPOVGTYCOTVZTC-UHFFFAOYSA-N
XLogP1.42
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid (CID 116928765) is 1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(Cc2ccc[nH]2)CC1.
What is the InChIKey of 1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid?
The InChIKey is ZPOVGTYCOTVZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-8(12)9(3-4-9)6-7-2-1-5-10-7/h1-2,5,10H,3-4,6H2,(H,11,12).
What are the key properties of 1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid?
1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid has a molecular weight of 165.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116928765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).