CID 156793801

C8H12NO — CID 156793801

IUPAC—
SMILESCC(=O)NC1[CH]C=CC=C1.[H][H]
InChIInChI=1S/C8H10NO.H2/c1-7(10)9-8-5-3-2-4-6-8;/h2-6,8H,1H3,(H,9,10);1H
InChIKeyFLSZTMBRQHJCDJ-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.07
Rot. Bonds1

About CID 156793801

CID 156793801 (PubChem CID 156793801) has the molecular formula C8H12NO and a molecular weight of 138.19 g/mol.

Molecular Properties

Compound NameCID 156793801
PubChem CID156793801
Molecular FormulaC8H12NO
Molecular Weight138.19 g/mol
Exact Mass138.09
IUPAC Name—
SMILESCC(=O)NC1[CH]C=CC=C1.[H][H]
InChIInChI=1S/C8H10NO.H2/c1-7(10)9-8-5-3-2-4-6-8;/h2-6,8H,1H3,(H,9,10);1H
InChIKeyFLSZTMBRQHJCDJ-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 156793801?
The IUPAC name of CID 156793801 (CID 156793801) is not available.
What is the SMILES notation for CID 156793801?
The canonical SMILES for CID 156793801 is CC(=O)NC1[CH]C=CC=C1.[H][H].
What is the InChIKey of CID 156793801?
The InChIKey is FLSZTMBRQHJCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO.H2/c1-7(10)9-8-5-3-2-4-6-8;/h2-6,8H,1H3,(H,9,10);1H.
What are the key properties of CID 156793801?
CID 156793801 has a molecular weight of 138.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156793801 is sourced from PubChem (CID 156793801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).