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

C15H13NO3 — CID 62877078

IUPAC4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)C2(c3ccccc3)CC2)c[nH]1
InChIInChI=1S/C15H13NO3/c17-13(10-8-12(14(18)19)16-9-10)15(6-7-15)11-4-2-1-3-5-11/h1-5,8-9,16H,6-7H2,(H,18,19)
InChIKeyCVDADCNZFLMGEE-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.63
Rot. Bonds4

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

4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 62877078) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
PubChem CID62877078
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)C2(c3ccccc3)CC2)c[nH]1
InChIInChI=1S/C15H13NO3/c17-13(10-8-12(14(18)19)16-9-10)15(6-7-15)11-4-2-1-3-5-11/h1-5,8-9,16H,6-7H2,(H,18,19)
InChIKeyCVDADCNZFLMGEE-UHFFFAOYSA-N
XLogP2.63
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
CID 130553027
4-benzoyl-1H-pyrrole-2-carboxylic acid
CID 2763446
(5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone
CID 63491819
(3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone
CID 79735854
(5-fluoro-3-pyridinyl)-(1-phenylcyclopropyl)methanone
CID 63080715
(4-ethylphenyl)-(1-phenylcyclopropyl)methanone
CID 62879139
5-benzoyl-1H-pyrrole-3-carboxylic acid
CID 12897055
(1-phenylcyclopropyl)-(3-propylphenyl)methanone
CID 116543203
(2-chlorophenyl)-(1-phenylcyclopropyl)methanone
CID 63080543
(4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone
CID 116561849
4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 2764442
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone
CID 107128300

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid (CID 62877078) is 4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(C(=O)C2(c3ccccc3)CC2)c[nH]1.
What is the InChIKey of 4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is CVDADCNZFLMGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-13(10-8-12(14(18)19)16-9-10)15(6-7-15)11-4-2-1-3-5-11/h1-5,8-9,16H,6-7H2,(H,18,19).
What are the key properties of 4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid?
4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 62877078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).