5-propan-2-yl-4,5-dihydro-1H-indole

C11H15N — CID 176704614

IUPAC5-propan-2-yl-4,5-dihydro-1H-indole
SMILESCC(C)C1C=Cc2[nH]ccc2C1
InChIInChI=1S/C11H15N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-6,8-9,12H,7H2,1-2H3
InChIKeyWSCQXMBCFDPSKX-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.86
Rot. Bonds1

About 5-propan-2-yl-4,5-dihydro-1H-indole

5-propan-2-yl-4,5-dihydro-1H-indole (PubChem CID 176704614) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 5-propan-2-yl-4,5-dihydro-1H-indole.

Molecular Properties

Compound Name5-propan-2-yl-4,5-dihydro-1H-indole
PubChem CID176704614
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name5-propan-2-yl-4,5-dihydro-1H-indole
SMILESCC(C)C1C=Cc2[nH]ccc2C1
InChIInChI=1S/C11H15N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-6,8-9,12H,7H2,1-2H3
InChIKeyWSCQXMBCFDPSKX-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole
CID 163419103
(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene
CID 76969298
1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
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(3Z,7E,9S)-2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one
CID 11806114
2,6-dimethylidene-9-propan-2-ylcyclodeca-3,7-dien-1-one
CID 72760697
2-tert-butyl-5-propan-2-ylcyclohexa-1,3-diene
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(4S,6S)-5,6-dimethyl-4-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
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(4-propan-2-ylcyclohexa-1,5-dien-1-yl)methanol
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2-nitroso-5-propan-2-ylcyclohexa-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,5-dihydro-1H-indole?
The IUPAC name of 5-propan-2-yl-4,5-dihydro-1H-indole (CID 176704614) is 5-propan-2-yl-4,5-dihydro-1H-indole.
What is the SMILES notation for 5-propan-2-yl-4,5-dihydro-1H-indole?
The canonical SMILES for 5-propan-2-yl-4,5-dihydro-1H-indole is CC(C)C1C=Cc2[nH]ccc2C1.
What is the InChIKey of 5-propan-2-yl-4,5-dihydro-1H-indole?
The InChIKey is WSCQXMBCFDPSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-6,8-9,12H,7H2,1-2H3.
What are the key properties of 5-propan-2-yl-4,5-dihydro-1H-indole?
5-propan-2-yl-4,5-dihydro-1H-indole has a molecular weight of 161.25 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,5-dihydro-1H-indole is sourced from PubChem (CID 176704614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).