1H-indene;methane

C11H16 — CID 157370172

IUPAC1H-indene;methane
SMILESC.C.C1=Cc2ccccc2C1
InChIInChI=1S/C9H8.2CH4/c1-2-5-9-7-3-6-8(9)4-1;;/h1-6H,7H2;2*1H4
InChIKeyBJRAMXDCQURERE-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.53
Rot. Bonds

About 1H-indene;methane

1H-indene;methane (PubChem CID 157370172) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1H-indene;methane.

Molecular Properties

Compound Name1H-indene;methane
PubChem CID157370172
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1H-indene;methane
SMILESC.C.C1=Cc2ccccc2C1
InChIInChI=1S/C9H8.2CH4/c1-2-5-9-7-3-6-8(9)4-1;;/h1-6H,7H2;2*1H4
InChIKeyBJRAMXDCQURERE-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1H-indene;methane?
The IUPAC name of 1H-indene;methane (CID 157370172) is 1H-indene;methane.
What is the SMILES notation for 1H-indene;methane?
The canonical SMILES for 1H-indene;methane is C.C.C1=Cc2ccccc2C1.
What is the InChIKey of 1H-indene;methane?
The InChIKey is BJRAMXDCQURERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.2CH4/c1-2-5-9-7-3-6-8(9)4-1;;/h1-6H,7H2;2*1H4.
What are the key properties of 1H-indene;methane?
1H-indene;methane has a molecular weight of 148.25 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indene;methane is sourced from PubChem (CID 157370172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).