6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole

C14H16ClN — CID 176612520

IUPAC6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole
SMILESCC(C)c1c(C2CC2)c(Cl)cc2[nH]ccc12
InChIInChI=1S/C14H16ClN/c1-8(2)13-10-5-6-16-12(10)7-11(15)14(13)9-3-4-9/h5-9,16H,3-4H2,1-2H3
InChIKeyDJWQURGFQSNLBE-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.82
Rot. Bonds2

About 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole

6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole (PubChem CID 176612520) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole.

Molecular Properties

Compound Name6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole
PubChem CID176612520
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole
SMILESCC(C)c1c(C2CC2)c(Cl)cc2[nH]ccc12
InChIInChI=1S/C14H16ClN/c1-8(2)13-10-5-6-16-12(10)7-11(15)14(13)9-3-4-9/h5-9,16H,3-4H2,1-2H3
InChIKeyDJWQURGFQSNLBE-UHFFFAOYSA-N
XLogP4.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-methyl-4-propan-2-yl-1H-indole
CID 23058098
7-cyclopropyl-1H-quinolin-4-one
CID 169178184
6-chloro-4-methyl-1H-pyrrolo[3,2-c]pyridine
CID 74888573
N-[4-(6-chloro-1H-indol-4-yl)cyclohexyl]acetamide
CID 157358661
7-propan-2-yl-1H-quinoline-4-thione
CID 19075128
7-chloro-6-methyl-1H-quinolin-4-one
CID 53418924
6-ethyl-4-propan-2-yl-1H-indole
CID 129263187
4-chloro-6-propyl-1H-indole
CID 67563009
3-cyclopentyl-6-propan-2-yl-1H-indole
CID 143161751
3-chloro-2-propan-2-yl-1H-pyrrole
CID 58030003
5,6-dichloro-1H-indole
CID 10487776
6-chloro-N-(1-methylpiperidin-4-yl)-1H-indol-4-amine
CID 130361840

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole?
The IUPAC name of 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole (CID 176612520) is 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole.
What is the SMILES notation for 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole?
The canonical SMILES for 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole is CC(C)c1c(C2CC2)c(Cl)cc2[nH]ccc12.
What is the InChIKey of 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole?
The InChIKey is DJWQURGFQSNLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-8(2)13-10-5-6-16-12(10)7-11(15)14(13)9-3-4-9/h5-9,16H,3-4H2,1-2H3.
What are the key properties of 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole?
6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole has a molecular weight of 233.74 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole is sourced from PubChem (CID 176612520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).