CID 59672178

C7H12NO2 — CID 59672178

IUPAC—
SMILESCC(=O)CCC([NH])C(C)=O
InChIInChI=1S/C7H12NO2/c1-5(9)3-4-7(8)6(2)10/h7-8H,3-4H2,1-2H3
InChIKeyGGZBWGLHIXNBNV-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.60
Rot. Bonds4

About CID 59672178

CID 59672178 (PubChem CID 59672178) has the molecular formula C7H12NO2 and a molecular weight of 142.18 g/mol.

Molecular Properties

Compound NameCID 59672178
PubChem CID59672178
Molecular FormulaC7H12NO2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name—
SMILESCC(=O)CCC([NH])C(C)=O
InChIInChI=1S/C7H12NO2/c1-5(9)3-4-7(8)6(2)10/h7-8H,3-4H2,1-2H3
InChIKeyGGZBWGLHIXNBNV-UHFFFAOYSA-N
XLogP0.60
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59672178?
The IUPAC name of CID 59672178 (CID 59672178) is not available.
What is the SMILES notation for CID 59672178?
The canonical SMILES for CID 59672178 is CC(=O)CCC([NH])C(C)=O.
What is the InChIKey of CID 59672178?
The InChIKey is GGZBWGLHIXNBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO2/c1-5(9)3-4-7(8)6(2)10/h7-8H,3-4H2,1-2H3.
What are the key properties of CID 59672178?
CID 59672178 has a molecular weight of 142.18 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59672178 is sourced from PubChem (CID 59672178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).