3-propan-2-yl-5,6-dihydro-1H-indole

C11H15N — CID 118203501

IUPAC3-propan-2-yl-5,6-dihydro-1H-indole
SMILESCC(C)c1c[nH]c2c1=CCCC=2
InChIInChI=1S/C11H15N/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h5-8,12H,3-4H2,1-2H3
InChIKeyFMFMCOSTAZGAFW-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.49
Rot. Bonds1

About 3-propan-2-yl-5,6-dihydro-1H-indole

3-propan-2-yl-5,6-dihydro-1H-indole (PubChem CID 118203501) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-propan-2-yl-5,6-dihydro-1H-indole.

Molecular Properties

Compound Name3-propan-2-yl-5,6-dihydro-1H-indole
PubChem CID118203501
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-propan-2-yl-5,6-dihydro-1H-indole
SMILESCC(C)c1c[nH]c2c1=CCCC=2
InChIInChI=1S/C11H15N/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h5-8,12H,3-4H2,1-2H3
InChIKeyFMFMCOSTAZGAFW-UHFFFAOYSA-N
XLogP1.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine
CID 162561099
3-ethyl-3a,7a-dihydro-1H-indole
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1-(3a,7a-dihydro-1H-indol-3-yl)-N-methylmethanamine
CID 20771818
3,7-dimethyl-3a,7a-dihydro-1H-indole
CID 20812297
3a,4-dihydro-1H-indole
CID 21935107
3-methyl-3a,7a-dihydro-1H-indole
CID 22951423
3-[(E)-prop-1-enyl]-3a,7a-dihydro-1H-indole
CID 22951577
3,6-Dimethylidene-4-propan-2-yl-1,2-dihydropyridine
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CID 57691965

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6-dihydro-1H-indole?
The IUPAC name of 3-propan-2-yl-5,6-dihydro-1H-indole (CID 118203501) is 3-propan-2-yl-5,6-dihydro-1H-indole.
What is the SMILES notation for 3-propan-2-yl-5,6-dihydro-1H-indole?
The canonical SMILES for 3-propan-2-yl-5,6-dihydro-1H-indole is CC(C)c1c[nH]c2c1=CCCC=2.
What is the InChIKey of 3-propan-2-yl-5,6-dihydro-1H-indole?
The InChIKey is FMFMCOSTAZGAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h5-8,12H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,6-dihydro-1H-indole?
3-propan-2-yl-5,6-dihydro-1H-indole has a molecular weight of 161.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6-dihydro-1H-indole is sourced from PubChem (CID 118203501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).