2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol

C9H11IN2O — CID 142719693

IUPAC2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol
SMILESCC(C)(O)c1cccc2c1NN=I2
InChIInChI=1S/C9H11IN2O/c1-9(2,13)6-4-3-5-7-8(6)11-12-10-7/h3-5,11,13H,1-2H3
InChIKeyRPYMMPBKFWCKSG-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.58
Rot. Bonds1

About 2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol

2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol (PubChem CID 142719693) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is 2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol
PubChem CID142719693
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol
SMILESCC(C)(O)c1cccc2c1NN=I2
InChIInChI=1S/C9H11IN2O/c1-9(2,13)6-4-3-5-7-8(6)11-12-10-7/h3-5,11,13H,1-2H3
InChIKeyRPYMMPBKFWCKSG-UHFFFAOYSA-N
XLogP2.58
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282362
2-(1H-benzimidazol-4-yl)propan-2-ol
CID 117277327
4-(2-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 84663857
2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
CID 56991164
2-(2-ethylphenyl)propan-2-ol
CID 11958936
2-(2,3-difluorophenyl)propan-2-ol
CID 10487389
4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282361
2-(3-methyl-1,1-dioxo-1-benzothiophen-4-yl)propan-2-ol
CID 117204393
2-(3-bromo-2H-indazol-7-yl)propan-2-ol
CID 84708467
2-(2-methyl-3-pyridinyl)propan-2-ol
CID 45091732
2-(2-chlorophenyl)propan-2-ol
CID 12759846
2-[2-(1,1-difluoroethyl)phenyl]propan-2-ol
CID 84669438

Frequently Asked Questions

What is the IUPAC name of 2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol?
The IUPAC name of 2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol (CID 142719693) is 2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol?
The canonical SMILES for 2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol is CC(C)(O)c1cccc2c1NN=I2.
What is the InChIKey of 2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol?
The InChIKey is RPYMMPBKFWCKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c1-9(2,13)6-4-3-5-7-8(6)11-12-10-7/h3-5,11,13H,1-2H3.
What are the key properties of 2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol?
2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol has a molecular weight of 290.10 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol is sourced from PubChem (CID 142719693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).