1-pyrrol-1-ylcyclopropane-1-carboxylic acid

C8H9NO2 — CID 65452699

IUPAC1-pyrrol-1-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(n2cccc2)CC1
InChIInChI=1S/C8H9NO2/c10-7(11)8(3-4-8)9-5-1-2-6-9/h1-2,5-6H,3-4H2,(H,10,11)
InChIKeyWVRDHVSRQSDOOW-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.06
Rot. Bonds2

About 1-pyrrol-1-ylcyclopropane-1-carboxylic acid

1-pyrrol-1-ylcyclopropane-1-carboxylic acid (PubChem CID 65452699) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-pyrrol-1-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-pyrrol-1-ylcyclopropane-1-carboxylic acid
PubChem CID65452699
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1-pyrrol-1-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(n2cccc2)CC1
InChIInChI=1S/C8H9NO2/c10-7(11)8(3-4-8)9-5-1-2-6-9/h1-2,5-6H,3-4H2,(H,10,11)
InChIKeyWVRDHVSRQSDOOW-UHFFFAOYSA-N
XLogP1.06
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrol-1-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-pyrrol-1-ylcyclopropane-1-carboxylic acid (CID 65452699) is 1-pyrrol-1-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-pyrrol-1-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-pyrrol-1-ylcyclopropane-1-carboxylic acid is O=C(O)C1(n2cccc2)CC1.
What is the InChIKey of 1-pyrrol-1-ylcyclopropane-1-carboxylic acid?
The InChIKey is WVRDHVSRQSDOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-7(11)8(3-4-8)9-5-1-2-6-9/h1-2,5-6H,3-4H2,(H,10,11).
What are the key properties of 1-pyrrol-1-ylcyclopropane-1-carboxylic acid?
1-pyrrol-1-ylcyclopropane-1-carboxylic acid has a molecular weight of 151.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrol-1-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 65452699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).