CID 135032071

C5H6NO2 — CID 135032071

IUPAC—
SMILESCC(=O)N1[CH]CC1=O
InChIInChI=1S/C5H6NO2/c1-4(7)6-3-2-5(6)8/h3H,2H2,1H3
InChIKeyPGKBDTGAYSEJOU-UHFFFAOYSA-N
MW112.11 g/mol
LogP-0.07
Rot. Bonds

About CID 135032071

CID 135032071 (PubChem CID 135032071) has the molecular formula C5H6NO2 and a molecular weight of 112.11 g/mol.

Molecular Properties

Compound NameCID 135032071
PubChem CID135032071
Molecular FormulaC5H6NO2
Molecular Weight112.11 g/mol
Exact Mass112.04
IUPAC Name—
SMILESCC(=O)N1[CH]CC1=O
InChIInChI=1S/C5H6NO2/c1-4(7)6-3-2-5(6)8/h3H,2H2,1H3
InChIKeyPGKBDTGAYSEJOU-UHFFFAOYSA-N
XLogP-0.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 135032071?
The IUPAC name of CID 135032071 (CID 135032071) is not available.
What is the SMILES notation for CID 135032071?
The canonical SMILES for CID 135032071 is CC(=O)N1[CH]CC1=O.
What is the InChIKey of CID 135032071?
The InChIKey is PGKBDTGAYSEJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NO2/c1-4(7)6-3-2-5(6)8/h3H,2H2,1H3.
What are the key properties of CID 135032071?
CID 135032071 has a molecular weight of 112.11 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135032071 is sourced from PubChem (CID 135032071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).