4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene

C11H15I — CID 89142716

IUPAC4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene
SMILESCC1=C2CCCC2C(CI)C=C1
InChIInChI=1S/C11H15I/c1-8-5-6-9(7-12)11-4-2-3-10(8)11/h5-6,9,11H,2-4,7H2,1H3
InChIKeyWWBASEDHJQLMJR-UHFFFAOYSA-N
MW274.14 g/mol
LogP3.72
Rot. Bonds1

About 4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene

4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene (PubChem CID 89142716) has the molecular formula C11H15I and a molecular weight of 274.14 g/mol. Its IUPAC name is 4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene.

Molecular Properties

Compound Name4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene
PubChem CID89142716
Molecular FormulaC11H15I
Molecular Weight274.14 g/mol
Exact Mass274.02
IUPAC Name4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene
SMILESCC1=C2CCCC2C(CI)C=C1
InChIInChI=1S/C11H15I/c1-8-5-6-9(7-12)11-4-2-3-10(8)11/h5-6,9,11H,2-4,7H2,1H3
InChIKeyWWBASEDHJQLMJR-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,3a,4-Tetrahydro-1H-indene
CID 189981
1-Methyl-2,3,3a,4-tetrahydro-1H-indene
CID 18402437
1-fluoro-4-[(Z)-6-iodo-3-methylhex-4-en-2-yl]cyclohexa-1,3-diene
CID 173495777
4-methyl-5,6-dihydro-4H-indene
CID 13509462
2,3-Dihydro-4-methyl-4-methyl-1h-indene
CID 129845676
trans-(1Z,2R,3R)-2-ethenyl-1-(1-iodoethylidene)-3-methylcyclopentane
CID 134966206
[(2E)-4-iodopenta-2,4-dienyl]cyclopentane
CID 10491684
4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene
CID 12742755
7-methyl-4,5,6,7-tetrahydro-1H-indene
CID 14440263
5,6-dimethyl-4,5,6,7-tetrahydro-1H-indene
CID 14490219
3-methyl-2,3,3a,4-tetrahydro-1H-indene
CID 18402320
1-propan-2-yl-2,3,3a,4-tetrahydro-1H-indene
CID 18402333

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene?
The IUPAC name of 4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene (CID 89142716) is 4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene.
What is the SMILES notation for 4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene?
The canonical SMILES for 4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene is CC1=C2CCCC2C(CI)C=C1.
What is the InChIKey of 4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene?
The InChIKey is WWBASEDHJQLMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15I/c1-8-5-6-9(7-12)11-4-2-3-10(8)11/h5-6,9,11H,2-4,7H2,1H3.
What are the key properties of 4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene?
4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene has a molecular weight of 274.14 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)-7-methyl-2,3,3a,4-tetrahydro-1H-indene is sourced from PubChem (CID 89142716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).