(2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole

C18H25N — CID 132938951

IUPAC(2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole
SMILESC=C[C@@](C)(CCC=C(C)C)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C18H25N/c1-5-18(4,12-8-9-14(2)3)17-13-15-10-6-7-11-16(15)19-17/h5-7,9-11,17,19H,1,8,12-13H2,2-4H3/t17-,18-/m0/s1
InChIKeyYGOZMIZFKTUYSH-ROUUACIJSA-N
MW255.40 g/mol
LogP4.96
Rot. Bonds5

About (2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole

(2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole (PubChem CID 132938951) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is (2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole
PubChem CID132938951
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name(2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole
SMILESC=C[C@@](C)(CCC=C(C)C)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C18H25N/c1-5-18(4,12-8-9-14(2)3)17-13-15-10-6-7-11-16(15)19-17/h5-7,9-11,17,19H,1,8,12-13H2,2-4H3/t17-,18-/m0/s1
InChIKeyYGOZMIZFKTUYSH-ROUUACIJSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole with MolForge

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Related Compounds

(2R)-2-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole
CID 134967891
2-(2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 14668660
2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol
CID 65042828
2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol
CID 80558775
2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165467715
1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol
CID 65042584
tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate
CID 131227813
1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
CID 160961058
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
1-(2,3-dihydro-1H-indol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124612
(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol
CID 12809100
2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 66001292

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole?
The IUPAC name of (2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole (CID 132938951) is (2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for (2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for (2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole is C=C[C@@](C)(CCC=C(C)C)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole?
The InChIKey is YGOZMIZFKTUYSH-ROUUACIJSA-N. The full InChI is InChI=1S/C18H25N/c1-5-18(4,12-8-9-14(2)3)17-13-15-10-6-7-11-16(15)19-17/h5-7,9-11,17,19H,1,8,12-13H2,2-4H3/t17-,18-/m0/s1.
What are the key properties of (2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole?
(2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole has a molecular weight of 255.40 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 132938951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).