[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid

C6H10NO4P — CID 130694036

IUPAC[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid
SMILESCn1cccc1C(O)P(=O)(O)O
InChIInChI=1S/C6H10NO4P/c1-7-4-2-3-5(7)6(8)12(9,10)11/h2-4,6,8H,1H3,(H2,9,10,11)
InChIKeyMEKJBFJCEIIFQV-UHFFFAOYSA-N
MW191.12 g/mol
LogP0.19
Rot. Bonds2

About [hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid

[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid (PubChem CID 130694036) has the molecular formula C6H10NO4P and a molecular weight of 191.12 g/mol. Its IUPAC name is [hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid.

Molecular Properties

Compound Name[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid
PubChem CID130694036
Molecular FormulaC6H10NO4P
Molecular Weight191.12 g/mol
Exact Mass191.03
IUPAC Name[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid
SMILESCn1cccc1C(O)P(=O)(O)O
InChIInChI=1S/C6H10NO4P/c1-7-4-2-3-5(7)6(8)12(9,10)11/h2-4,6,8H,1H3,(H2,9,10,11)
InChIKeyMEKJBFJCEIIFQV-UHFFFAOYSA-N
XLogP0.19
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.12
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol
CID 14788370
methoxy-(1-methylpyrrol-2-yl)methanol
CID 45087864
2-hydroxy-1,2-bis(1-methylpyrrol-2-yl)ethanone
CID 171976356
1-(1-methylpyrrol-2-yl)ethanethiol
CID 170267001
3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol
CID 170829352
(1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol
CID 130718418
1-(1-methylpyrrol-2-yl)-3-sulfanylpropane-1,2-diol
CID 170821220
dimethyl 2-(1-methylpyrrol-2-yl)propanedioate
CID 12794094
(R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293069
[2-(1-methylpyrrol-2-yl)-2-oxoethyl]phosphonic acid
CID 161197491
(1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol
CID 130666304
methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride
CID 171212602

Frequently Asked Questions

What is the IUPAC name of [hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid?
The IUPAC name of [hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid (CID 130694036) is [hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid.
What is the SMILES notation for [hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid?
The canonical SMILES for [hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid is Cn1cccc1C(O)P(=O)(O)O.
What is the InChIKey of [hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid?
The InChIKey is MEKJBFJCEIIFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO4P/c1-7-4-2-3-5(7)6(8)12(9,10)11/h2-4,6,8H,1H3,(H2,9,10,11).
What are the key properties of [hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid?
[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid has a molecular weight of 191.12 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid is sourced from PubChem (CID 130694036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).