7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole

C13H16ClN — CID 163746493

IUPAC7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole
SMILESC=C1Nc2c(Cl)ccc(C)c2C1C(C)C
InChIInChI=1S/C13H16ClN/c1-7(2)11-9(4)15-13-10(14)6-5-8(3)12(11)13/h5-7,11,15H,4H2,1-3H3
InChIKeyOWPSGLXJXWJXNP-UHFFFAOYSA-N
MW221.73 g/mol
LogP4.33
Rot. Bonds1

About 7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole

7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole (PubChem CID 163746493) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole.

Molecular Properties

Compound Name7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole
PubChem CID163746493
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole
SMILESC=C1Nc2c(Cl)ccc(C)c2C1C(C)C
InChIInChI=1S/C13H16ClN/c1-7(2)11-9(4)15-13-10(14)6-5-8(3)12(11)13/h5-7,11,15H,4H2,1-3H3
InChIKeyOWPSGLXJXWJXNP-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole?
The IUPAC name of 7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole (CID 163746493) is 7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole.
What is the SMILES notation for 7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole?
The canonical SMILES for 7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole is C=C1Nc2c(Cl)ccc(C)c2C1C(C)C.
What is the InChIKey of 7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole?
The InChIKey is OWPSGLXJXWJXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c1-7(2)11-9(4)15-13-10(14)6-5-8(3)12(11)13/h5-7,11,15H,4H2,1-3H3.
What are the key properties of 7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole?
7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole has a molecular weight of 221.73 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole is sourced from PubChem (CID 163746493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).