CID 57429570

C10H13 — CID 57429570

IUPAC—
SMILES[CH2]CCc1ccccc1C
InChIInChI=1S/C10H13/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,1,3,6H2,2H3
InChIKeyZBCKJAKMPGQDII-UHFFFAOYSA-N
MW133.21 g/mol
LogP2.76
Rot. Bonds2

About CID 57429570

CID 57429570 (PubChem CID 57429570) has the molecular formula C10H13 and a molecular weight of 133.21 g/mol.

Molecular Properties

Compound NameCID 57429570
PubChem CID57429570
Molecular FormulaC10H13
Molecular Weight133.21 g/mol
Exact Mass133.10
IUPAC Name—
SMILES[CH2]CCc1ccccc1C
InChIInChI=1S/C10H13/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,1,3,6H2,2H3
InChIKeyZBCKJAKMPGQDII-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 57429570?
The IUPAC name of CID 57429570 (CID 57429570) is not available.
What is the SMILES notation for CID 57429570?
The canonical SMILES for CID 57429570 is [CH2]CCc1ccccc1C.
What is the InChIKey of CID 57429570?
The InChIKey is ZBCKJAKMPGQDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,1,3,6H2,2H3.
What are the key properties of CID 57429570?
CID 57429570 has a molecular weight of 133.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57429570 is sourced from PubChem (CID 57429570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).