formaldehyde;1H-pyrrole-3-carboxylic acid

C6H7NO3 — CID 174260520

IUPACformaldehyde;1H-pyrrole-3-carboxylic acid
SMILESC=O.O=C(O)c1cc[nH]c1
InChIInChI=1S/C5H5NO2.CH2O/c7-5(8)4-1-2-6-3-4;1-2/h1-3,6H,(H,7,8);1H2
InChIKeyHQYHCFBCLHXJDZ-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.53
Rot. Bonds1

About formaldehyde;1H-pyrrole-3-carboxylic acid

formaldehyde;1H-pyrrole-3-carboxylic acid (PubChem CID 174260520) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is formaldehyde;1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Nameformaldehyde;1H-pyrrole-3-carboxylic acid
PubChem CID174260520
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Nameformaldehyde;1H-pyrrole-3-carboxylic acid
SMILESC=O.O=C(O)c1cc[nH]c1
InChIInChI=1S/C5H5NO2.CH2O/c7-5(8)4-1-2-6-3-4;1-2/h1-3,6H,(H,7,8);1H2
InChIKeyHQYHCFBCLHXJDZ-UHFFFAOYSA-N
XLogP0.53
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrrole-3-carboxylate
CID 7021181
2-fluoro-1-(1H-pyrrol-3-yl)ethanone
CID 88913574
bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone
CID 57159288
2-oxo-2-(1H-pyrrol-3-yl)acetamide
CID 22722169
azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
2-methyl-2-(methylamino)-1-(1H-pyrrol-3-yl)propan-1-one
CID 116918724
(5-bromo-1H-pyrrol-2-yl)-(1H-pyrrol-3-yl)methanone
CID 96590395
1-(1H-pyrrol-3-yl)butane-1,3-dione;1-(1H-pyrrol-3-yl)hexane-1,3,5-trione
CID 160944392
6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 115116603
4-hydroxy-1-(1H-pyrrol-3-yl)butan-1-one
CID 82467827
(2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone
CID 63750336
ethene;terephthalic acid
CID 18755810

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1H-pyrrole-3-carboxylic acid?
The IUPAC name of formaldehyde;1H-pyrrole-3-carboxylic acid (CID 174260520) is formaldehyde;1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for formaldehyde;1H-pyrrole-3-carboxylic acid?
The canonical SMILES for formaldehyde;1H-pyrrole-3-carboxylic acid is C=O.O=C(O)c1cc[nH]c1.
What is the InChIKey of formaldehyde;1H-pyrrole-3-carboxylic acid?
The InChIKey is HQYHCFBCLHXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.CH2O/c7-5(8)4-1-2-6-3-4;1-2/h1-3,6H,(H,7,8);1H2.
What are the key properties of formaldehyde;1H-pyrrole-3-carboxylic acid?
formaldehyde;1H-pyrrole-3-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 174260520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).