CID 59694811

C7H11NO — CID 59694811

IUPAC—
SMILES[CH]C1CC(CCC)=NO1
InChIInChI=1S/C7H11NO/c1-3-4-7-5-6(2)9-8-7/h2,6H,3-5H2,1H3
InChIKeyWFXLSKAELIOTPI-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.64
Rot. Bonds2

About CID 59694811

CID 59694811 (PubChem CID 59694811) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol.

Molecular Properties

Compound NameCID 59694811
PubChem CID59694811
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name—
SMILES[CH]C1CC(CCC)=NO1
InChIInChI=1S/C7H11NO/c1-3-4-7-5-6(2)9-8-7/h2,6H,3-5H2,1H3
InChIKeyWFXLSKAELIOTPI-UHFFFAOYSA-N
XLogP1.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59694811?
The IUPAC name of CID 59694811 (CID 59694811) is not available.
What is the SMILES notation for CID 59694811?
The canonical SMILES for CID 59694811 is [CH]C1CC(CCC)=NO1.
What is the InChIKey of CID 59694811?
The InChIKey is WFXLSKAELIOTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-4-7-5-6(2)9-8-7/h2,6H,3-5H2,1H3.
What are the key properties of CID 59694811?
CID 59694811 has a molecular weight of 125.17 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694811 is sourced from PubChem (CID 59694811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).