4-propyl-1,2,3,5,6,7-hexahydro-s-indacene

C15H20 — CID 142529485

IUPAC4-propyl-1,2,3,5,6,7-hexahydro-s-indacene
SMILESCCCc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C15H20/c1-2-5-15-13-8-3-6-11(13)10-12-7-4-9-14(12)15/h10H,2-9H2,1H3
InChIKeyDVNJORMLGCJDIA-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.62
Rot. Bonds2

About 4-propyl-1,2,3,5,6,7-hexahydro-s-indacene

4-propyl-1,2,3,5,6,7-hexahydro-s-indacene (PubChem CID 142529485) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-propyl-1,2,3,5,6,7-hexahydro-s-indacene.

Molecular Properties

Compound Name4-propyl-1,2,3,5,6,7-hexahydro-s-indacene
PubChem CID142529485
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name4-propyl-1,2,3,5,6,7-hexahydro-s-indacene
SMILESCCCc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C15H20/c1-2-5-15-13-8-3-6-11(13)10-12-7-4-9-14(12)15/h10H,2-9H2,1H3
InChIKeyDVNJORMLGCJDIA-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,6-dibutyl-2,3-dihydro-1H-inden-5-ol
CID 154132660
2-[4-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propyl]piperazin-1-yl]ethanol
CID 827194
sodium [2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]azanide
CID 175793204
ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
6-(2-methylpropyl)-2,3,4,5,7,8,9,10-octahydro-1H-benzo[h][3]benzazepine
CID 157413342
2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
CID 170565054
ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene
CID 142513105
1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 139941681
2-propyl-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one
CID 43668142
5-ethyl-1-oxido-7,8-dihydro-6H-cyclopenta[g][1,2,4]benzotriazin-1-ium
CID 11951642
4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 172602890
5-butyl-4-methyl-2,3-dihydro-1H-indene
CID 86046523

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,2,3,5,6,7-hexahydro-s-indacene?
The IUPAC name of 4-propyl-1,2,3,5,6,7-hexahydro-s-indacene (CID 142529485) is 4-propyl-1,2,3,5,6,7-hexahydro-s-indacene.
What is the SMILES notation for 4-propyl-1,2,3,5,6,7-hexahydro-s-indacene?
The canonical SMILES for 4-propyl-1,2,3,5,6,7-hexahydro-s-indacene is CCCc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 4-propyl-1,2,3,5,6,7-hexahydro-s-indacene?
The InChIKey is DVNJORMLGCJDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-2-5-15-13-8-3-6-11(13)10-12-7-4-9-14(12)15/h10H,2-9H2,1H3.
What are the key properties of 4-propyl-1,2,3,5,6,7-hexahydro-s-indacene?
4-propyl-1,2,3,5,6,7-hexahydro-s-indacene has a molecular weight of 200.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,2,3,5,6,7-hexahydro-s-indacene is sourced from PubChem (CID 142529485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).