5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole

C12H14ClN — CID 163580754

IUPAC5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole
SMILESC=C1Nc2ccc(Cl)cc2C1C(C)C
InChIInChI=1S/C12H14ClN/c1-7(2)12-8(3)14-11-5-4-9(13)6-10(11)12/h4-7,12,14H,3H2,1-2H3
InChIKeyXUQSMRLVNNDZBR-UHFFFAOYSA-N
MW207.70 g/mol
LogP4.02
Rot. Bonds1

About 5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole

5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole (PubChem CID 163580754) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole.

Molecular Properties

Compound Name5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole
PubChem CID163580754
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole
SMILESC=C1Nc2ccc(Cl)cc2C1C(C)C
InChIInChI=1S/C12H14ClN/c1-7(2)12-8(3)14-11-5-4-9(13)6-10(11)12/h4-7,12,14H,3H2,1-2H3
InChIKeyXUQSMRLVNNDZBR-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline
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5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
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7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole
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(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 95430074
(3R)-4-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;(3R)-5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;(3R)-6-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;(3R)-7-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole;(3R)-4-fluoro-3-methyl-2-methylidene-3-propan-2-yl-1H-indole;(3R)-5-fluoro-3-methyl-2-methylidene-3-propan-2-yl-1H-indole;(3R)-6-fluoro-3-methyl-2-methylidene-3-propan-2-yl-1H-indole;(3R)-7-fluoro-3-methyl-2-methylidene-3-propan-2-yl-1H-indole;methane;(3R)-6-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;(3R)-7-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;(3R)-3-methyl-2-methylidene-3-propan-2-yl-1H-indole
CID 165088645
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6-chloro-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline
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5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
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7-chloro-3-propan-2-yl-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole?
The IUPAC name of 5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole (CID 163580754) is 5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole.
What is the SMILES notation for 5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole?
The canonical SMILES for 5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole is C=C1Nc2ccc(Cl)cc2C1C(C)C.
What is the InChIKey of 5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole?
The InChIKey is XUQSMRLVNNDZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-7(2)12-8(3)14-11-5-4-9(13)6-10(11)12/h4-7,12,14H,3H2,1-2H3.
What are the key properties of 5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole?
5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole has a molecular weight of 207.70 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole is sourced from PubChem (CID 163580754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).