7-chloro-1-methyl-3-prop-1-en-2-ylindole

C12H12ClN — CID 163887392

IUPAC7-chloro-1-methyl-3-prop-1-en-2-ylindole
SMILESC=C(C)c1cn(C)c2c(Cl)cccc12
InChIInChI=1S/C12H12ClN/c1-8(2)10-7-14(3)12-9(10)5-4-6-11(12)13/h4-7H,1H2,2-3H3
InChIKeyFABWOAKTAPEKMM-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.86
Rot. Bonds1

About 7-chloro-1-methyl-3-prop-1-en-2-ylindole

7-chloro-1-methyl-3-prop-1-en-2-ylindole (PubChem CID 163887392) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 7-chloro-1-methyl-3-prop-1-en-2-ylindole.

Molecular Properties

Compound Name7-chloro-1-methyl-3-prop-1-en-2-ylindole
PubChem CID163887392
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name7-chloro-1-methyl-3-prop-1-en-2-ylindole
SMILESC=C(C)c1cn(C)c2c(Cl)cccc12
InChIInChI=1S/C12H12ClN/c1-8(2)10-7-14(3)12-9(10)5-4-6-11(12)13/h4-7H,1H2,2-3H3
InChIKeyFABWOAKTAPEKMM-UHFFFAOYSA-N
XLogP3.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-3-prop-1-en-2-ylindole?
The IUPAC name of 7-chloro-1-methyl-3-prop-1-en-2-ylindole (CID 163887392) is 7-chloro-1-methyl-3-prop-1-en-2-ylindole.
What is the SMILES notation for 7-chloro-1-methyl-3-prop-1-en-2-ylindole?
The canonical SMILES for 7-chloro-1-methyl-3-prop-1-en-2-ylindole is C=C(C)c1cn(C)c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-1-methyl-3-prop-1-en-2-ylindole?
The InChIKey is FABWOAKTAPEKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c1-8(2)10-7-14(3)12-9(10)5-4-6-11(12)13/h4-7H,1H2,2-3H3.
What are the key properties of 7-chloro-1-methyl-3-prop-1-en-2-ylindole?
7-chloro-1-methyl-3-prop-1-en-2-ylindole has a molecular weight of 205.69 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-3-prop-1-en-2-ylindole is sourced from PubChem (CID 163887392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).