4-chloro-1-cyclopropyl-5-methylindole

C12H12ClN — CID 178070666

IUPAC4-chloro-1-cyclopropyl-5-methylindole
SMILESCc1ccc2c(ccn2C2CC2)c1Cl
InChIInChI=1S/C12H12ClN/c1-8-2-5-11-10(12(8)13)6-7-14(11)9-3-4-9/h2,5-7,9H,3-4H2,1H3
InChIKeyBLBMETKDXKPWAS-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.94
Rot. Bonds1

About 4-chloro-1-cyclopropyl-5-methylindole

4-chloro-1-cyclopropyl-5-methylindole (PubChem CID 178070666) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyl-5-methylindole.

Molecular Properties

Compound Name4-chloro-1-cyclopropyl-5-methylindole
PubChem CID178070666
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name4-chloro-1-cyclopropyl-5-methylindole
SMILESCc1ccc2c(ccn2C2CC2)c1Cl
InChIInChI=1S/C12H12ClN/c1-8-2-5-11-10(12(8)13)6-7-14(11)9-3-4-9/h2,5-7,9H,3-4H2,1H3
InChIKeyBLBMETKDXKPWAS-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropylindole-4-carbonitrile
CID 115016174
(1-cyclopropylindol-4-yl)methanamine
CID 115017108
1-(5-methyl-1-piperidin-4-ylindol-4-yl)-1,3-diazinane-2,4-dione
CID 178074052
1-cyclopropyl-2-methylpyrrole
CID 22288599
1-cyclopropyl-3-methylindole;ethane
CID 145207186
1-cyclopropyl-2-methylpyridin-4-one
CID 57242386
4,6-difluoro-1-(4-methylcyclohexyl)indole
CID 118162022
1-cyclopropyl-5-methylindole-3-carbaldehyde
CID 115021718
4-chloro-5-fluoro-1,6-dimethylindole
CID 126583354
1-(4-methyl-1-piperidin-4-ylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176562820
1-cyclopropyl-6,7-dimethoxy-5-nitroquinolin-4-one
CID 151974709
4-chloro-1-(3-methylsulfonylcyclohexyl)indole
CID 116623808

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyl-5-methylindole?
The IUPAC name of 4-chloro-1-cyclopropyl-5-methylindole (CID 178070666) is 4-chloro-1-cyclopropyl-5-methylindole.
What is the SMILES notation for 4-chloro-1-cyclopropyl-5-methylindole?
The canonical SMILES for 4-chloro-1-cyclopropyl-5-methylindole is Cc1ccc2c(ccn2C2CC2)c1Cl.
What is the InChIKey of 4-chloro-1-cyclopropyl-5-methylindole?
The InChIKey is BLBMETKDXKPWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c1-8-2-5-11-10(12(8)13)6-7-14(11)9-3-4-9/h2,5-7,9H,3-4H2,1H3.
What are the key properties of 4-chloro-1-cyclopropyl-5-methylindole?
4-chloro-1-cyclopropyl-5-methylindole has a molecular weight of 205.69 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyl-5-methylindole is sourced from PubChem (CID 178070666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).