CID 10913602

C5H7O — CID 10913602

IUPAC—
SMILES[CH2]C(=C)C(C)=O
InChIInChI=1S/C5H7O/c1-4(2)5(3)6/h1-2H2,3H3
InChIKeyQQDVMCYXDGDMPT-UHFFFAOYSA-N
MW83.11 g/mol
LogP0.97
Rot. Bonds1

About CID 10913602

CID 10913602 (PubChem CID 10913602) has the molecular formula C5H7O and a molecular weight of 83.11 g/mol.

Molecular Properties

Compound NameCID 10913602
PubChem CID10913602
Molecular FormulaC5H7O
Molecular Weight83.11 g/mol
Exact Mass83.05
IUPAC Name—
SMILES[CH2]C(=C)C(C)=O
InChIInChI=1S/C5H7O/c1-4(2)5(3)6/h1-2H2,3H3
InChIKeyQQDVMCYXDGDMPT-UHFFFAOYSA-N
XLogP0.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.11
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10913602?
The IUPAC name of CID 10913602 (CID 10913602) is not available.
What is the SMILES notation for CID 10913602?
The canonical SMILES for CID 10913602 is [CH2]C(=C)C(C)=O.
What is the InChIKey of CID 10913602?
The InChIKey is QQDVMCYXDGDMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O/c1-4(2)5(3)6/h1-2H2,3H3.
What are the key properties of CID 10913602?
CID 10913602 has a molecular weight of 83.11 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10913602 is sourced from PubChem (CID 10913602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).