4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid

C9H11NO2 — CID 84717034

IUPAC4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(CC2CC2)c[nH]1
InChIInChI=1S/C9H11NO2/c11-9(12)8-4-7(5-10-8)3-6-1-2-6/h4-6,10H,1-3H2,(H,11,12)
InChIKeyZSMMAWRKGKRLQJ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.67
Rot. Bonds3

About 4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid

4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 84717034) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid
PubChem CID84717034
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(CC2CC2)c[nH]1
InChIInChI=1S/C9H11NO2/c11-9(12)8-4-7(5-10-8)3-6-1-2-6/h4-6,10H,1-3H2,(H,11,12)
InChIKeyZSMMAWRKGKRLQJ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid (CID 84717034) is 4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(CC2CC2)c[nH]1.
What is the InChIKey of 4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is ZSMMAWRKGKRLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-9(12)8-4-7(5-10-8)3-6-1-2-6/h4-6,10H,1-3H2,(H,11,12).
What are the key properties of 4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid?
4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 165.19 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 84717034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).