CID 140512150

C9H9In — CID 140512150

IUPAC—
SMILES[In]C/C=C/c1ccccc1
InChIInChI=1S/C9H9.In/c1-2-6-9-7-4-3-5-8-9;/h2-8H,1H2;/b6-2+;
InChIKeyUBADEXHVWMMDGP-LKZNWTOYSA-N
MW231.99 g/mol
LogP2.29
Rot. Bonds2

About CID 140512150

CID 140512150 (PubChem CID 140512150) has the molecular formula C9H9In and a molecular weight of 231.99 g/mol.

Molecular Properties

Compound NameCID 140512150
PubChem CID140512150
Molecular FormulaC9H9In
Molecular Weight231.99 g/mol
Exact Mass231.97
IUPAC Name—
SMILES[In]C/C=C/c1ccccc1
InChIInChI=1S/C9H9.In/c1-2-6-9-7-4-3-5-8-9;/h2-8H,1H2;/b6-2+;
InChIKeyUBADEXHVWMMDGP-LKZNWTOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.99
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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benzene;but-1-enylbenzene
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CID 13068859
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
CID 70567885
CID 70567885
CID 70569152
CID 70569152
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
iodo-[(E)-3-phenylprop-2-enyl]mercury
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ethane;[(E)-3-phenylprop-1-enyl]benzene
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Frequently Asked Questions

What is the IUPAC name of CID 140512150?
The IUPAC name of CID 140512150 (CID 140512150) is not available.
What is the SMILES notation for CID 140512150?
The canonical SMILES for CID 140512150 is [In]C/C=C/c1ccccc1.
What is the InChIKey of CID 140512150?
The InChIKey is UBADEXHVWMMDGP-LKZNWTOYSA-N. The full InChI is InChI=1S/C9H9.In/c1-2-6-9-7-4-3-5-8-9;/h2-8H,1H2;/b6-2+;.
What are the key properties of CID 140512150?
CID 140512150 has a molecular weight of 231.99 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140512150 is sourced from PubChem (CID 140512150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).