2-methyl-3-propyl-3a,7a-dihydro-3H-indole

C12H17N — CID 59106252

IUPAC2-methyl-3-propyl-3a,7a-dihydro-3H-indole
SMILESCCCC1C(C)=NC2C=CC=CC21
InChIInChI=1S/C12H17N/c1-3-6-10-9(2)13-12-8-5-4-7-11(10)12/h4-5,7-8,10-12H,3,6H2,1-2H3
InChIKeyFPHVXXDCARDLJU-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.99
Rot. Bonds2

About 2-methyl-3-propyl-3a,7a-dihydro-3H-indole

2-methyl-3-propyl-3a,7a-dihydro-3H-indole (PubChem CID 59106252) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-methyl-3-propyl-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name2-methyl-3-propyl-3a,7a-dihydro-3H-indole
PubChem CID59106252
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-methyl-3-propyl-3a,7a-dihydro-3H-indole
SMILESCCCC1C(C)=NC2C=CC=CC21
InChIInChI=1S/C12H17N/c1-3-6-10-9(2)13-12-8-5-4-7-11(10)12/h4-5,7-8,10-12H,3,6H2,1-2H3
InChIKeyFPHVXXDCARDLJU-UHFFFAOYSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 6445873
CID 6445873
3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
CID 91299299
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CID 11298264
(3aR,4Z,9Z,10aS)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 102274163
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
2,3,3-Trimethyl-3a,7a-dihydroindole
CID 17797756
3-ethenyl-4,5,6-trimethyl-3a,7a-dihydro-1H-isoindole
CID 20634344
2-methyl-3,3a,4,5-tetrahydro-2H-indole
CID 53955660
2,4,9a,9b-tetrahydro-1H-benzo[e]indole
CID 54265109
3,3a,4,7-tetrahydro-2H-indole
CID 54297230
4,4a,4b,8a-tetrahydro-1H-pyrido[3,4-b]indole
CID 57046091
4,4a,4b,5,6,8a-hexahydro-1H-pyrido[3,4-b]indole
CID 57132388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propyl-3a,7a-dihydro-3H-indole?
The IUPAC name of 2-methyl-3-propyl-3a,7a-dihydro-3H-indole (CID 59106252) is 2-methyl-3-propyl-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 2-methyl-3-propyl-3a,7a-dihydro-3H-indole?
The canonical SMILES for 2-methyl-3-propyl-3a,7a-dihydro-3H-indole is CCCC1C(C)=NC2C=CC=CC21.
What is the InChIKey of 2-methyl-3-propyl-3a,7a-dihydro-3H-indole?
The InChIKey is FPHVXXDCARDLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-6-10-9(2)13-12-8-5-4-7-11(10)12/h4-5,7-8,10-12H,3,6H2,1-2H3.
What are the key properties of 2-methyl-3-propyl-3a,7a-dihydro-3H-indole?
2-methyl-3-propyl-3a,7a-dihydro-3H-indole has a molecular weight of 175.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propyl-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 59106252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).