3-(dicyclopropylmethyl)-1H-indene

C16H18 — CID 22595430

IUPAC3-(dicyclopropylmethyl)-1H-indene
SMILESC1=C(C(C2CC2)C2CC2)c2ccccc2C1
InChIInChI=1S/C16H18/c1-2-4-14-11(3-1)9-10-15(14)16(12-5-6-12)13-7-8-13/h1-4,10,12-13,16H,5-9H2
InChIKeyOAOPQELPYRYTMO-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.06
Rot. Bonds3

About 3-(dicyclopropylmethyl)-1H-indene

3-(dicyclopropylmethyl)-1H-indene (PubChem CID 22595430) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(dicyclopropylmethyl)-1H-indene.

Molecular Properties

Compound Name3-(dicyclopropylmethyl)-1H-indene
PubChem CID22595430
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name3-(dicyclopropylmethyl)-1H-indene
SMILESC1=C(C(C2CC2)C2CC2)c2ccccc2C1
InChIInChI=1S/C16H18/c1-2-4-14-11(3-1)9-10-15(14)16(12-5-6-12)13-7-8-13/h1-4,10,12-13,16H,5-9H2
InChIKeyOAOPQELPYRYTMO-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethyl)-1H-indene?
The IUPAC name of 3-(dicyclopropylmethyl)-1H-indene (CID 22595430) is 3-(dicyclopropylmethyl)-1H-indene.
What is the SMILES notation for 3-(dicyclopropylmethyl)-1H-indene?
The canonical SMILES for 3-(dicyclopropylmethyl)-1H-indene is C1=C(C(C2CC2)C2CC2)c2ccccc2C1.
What is the InChIKey of 3-(dicyclopropylmethyl)-1H-indene?
The InChIKey is OAOPQELPYRYTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-2-4-14-11(3-1)9-10-15(14)16(12-5-6-12)13-7-8-13/h1-4,10,12-13,16H,5-9H2.
What are the key properties of 3-(dicyclopropylmethyl)-1H-indene?
3-(dicyclopropylmethyl)-1H-indene has a molecular weight of 210.32 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethyl)-1H-indene is sourced from PubChem (CID 22595430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).