5-methyl-2-propyl-3a,7a-dihydro-1H-indole

C12H17N — CID 20708622

IUPAC5-methyl-2-propyl-3a,7a-dihydro-1H-indole
SMILESCCCC1=CC2C=C(C)C=CC2N1
InChIInChI=1S/C12H17N/c1-3-4-11-8-10-7-9(2)5-6-12(10)13-11/h5-8,10,12-13H,3-4H2,1-2H3
InChIKeyKCMDHLIZNBXJSC-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.77
Rot. Bonds2

About 5-methyl-2-propyl-3a,7a-dihydro-1H-indole

5-methyl-2-propyl-3a,7a-dihydro-1H-indole (PubChem CID 20708622) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 5-methyl-2-propyl-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name5-methyl-2-propyl-3a,7a-dihydro-1H-indole
PubChem CID20708622
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name5-methyl-2-propyl-3a,7a-dihydro-1H-indole
SMILESCCCC1=CC2C=C(C)C=CC2N1
InChIInChI=1S/C12H17N/c1-3-4-11-8-10-7-9(2)5-6-12(10)13-11/h5-8,10,12-13H,3-4H2,1-2H3
InChIKeyKCMDHLIZNBXJSC-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3a,7a-dihydro-1H-indole
CID 20577477
Dihydroindeno[1,2-b]pyridine
CID 129712711
2-[(Z)-1-fluorobut-1-enyl]-3a,7a-dihydro-1H-indole
CID 68403127
5-fluoro-2-methyl-2,4-dihydro-1H-indole
CID 89846202
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
3,5-difluoro-N-[(2E,4E,6Z)-5-propan-2-ylocta-2,4,6-trien-3-yl]cyclohexa-2,4-dien-1-amine
CID 134406911
N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
CID 134466184
(3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine
CID 135193072
(2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine
CID 142326450
5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine
CID 157996311
(6R)-5-fluoro-6-methyl-2,3,6,7-tetrahydro-1H-indole
CID 163791182
(3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine
CID 167170063

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-3a,7a-dihydro-1H-indole?
The IUPAC name of 5-methyl-2-propyl-3a,7a-dihydro-1H-indole (CID 20708622) is 5-methyl-2-propyl-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 5-methyl-2-propyl-3a,7a-dihydro-1H-indole?
The canonical SMILES for 5-methyl-2-propyl-3a,7a-dihydro-1H-indole is CCCC1=CC2C=C(C)C=CC2N1.
What is the InChIKey of 5-methyl-2-propyl-3a,7a-dihydro-1H-indole?
The InChIKey is KCMDHLIZNBXJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-4-11-8-10-7-9(2)5-6-12(10)13-11/h5-8,10,12-13H,3-4H2,1-2H3.
What are the key properties of 5-methyl-2-propyl-3a,7a-dihydro-1H-indole?
5-methyl-2-propyl-3a,7a-dihydro-1H-indole has a molecular weight of 175.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 20708622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).