1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol

C6H10INO — CID 139453501

IUPAC1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol
SMILESCC1C=C(O)N(I)C1C
InChIInChI=1S/C6H10INO/c1-4-3-6(9)8(7)5(4)2/h3-5,9H,1-2H3
InChIKeyPAFGRDYOHKJZSH-UHFFFAOYSA-N
MW239.06 g/mol
LogP2.08
Rot. Bonds

About 1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol

1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol (PubChem CID 139453501) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is 1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol.

Molecular Properties

Compound Name1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol
PubChem CID139453501
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol
SMILESCC1C=C(O)N(I)C1C
InChIInChI=1S/C6H10INO/c1-4-3-6(9)8(7)5(4)2/h3-5,9H,1-2H3
InChIKeyPAFGRDYOHKJZSH-UHFFFAOYSA-N
XLogP2.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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(4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol
CID 89362308
1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol
CID 156563500
1-iodo-3,4,5-trimethylimidazolidin-2-one
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2,3-dimethyl-1,3-dihydropyrazol-5-ol
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2,4-dimethylcyclobut-2-en-1-ol
CID 173489444
5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one
CID 129106299
2,3-difluoro-5,6-dimethylcyclohexa-1,3-diene
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CID 143559431

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol?
The IUPAC name of 1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol (CID 139453501) is 1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol.
What is the SMILES notation for 1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol?
The canonical SMILES for 1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol is CC1C=C(O)N(I)C1C.
What is the InChIKey of 1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol?
The InChIKey is PAFGRDYOHKJZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c1-4-3-6(9)8(7)5(4)2/h3-5,9H,1-2H3.
What are the key properties of 1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol?
1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol has a molecular weight of 239.06 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,3-dimethyl-2,3-dihydropyrrol-5-ol is sourced from PubChem (CID 139453501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).