CID 59972814

C6H11NO — CID 59972814

IUPAC—
SMILES[CH]C(CC)N(C)C=O
InChIInChI=1S/C6H11NO/c1-4-6(2)7(3)5-8/h2,5-6H,4H2,1,3H3
InChIKeyYMGGCBRWARWRGH-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.56
Rot. Bonds3

About CID 59972814

CID 59972814 (PubChem CID 59972814) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol.

Molecular Properties

Compound NameCID 59972814
PubChem CID59972814
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name—
SMILES[CH]C(CC)N(C)C=O
InChIInChI=1S/C6H11NO/c1-4-6(2)7(3)5-8/h2,5-6H,4H2,1,3H3
InChIKeyYMGGCBRWARWRGH-UHFFFAOYSA-N
XLogP0.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59972814?
The IUPAC name of CID 59972814 (CID 59972814) is not available.
What is the SMILES notation for CID 59972814?
The canonical SMILES for CID 59972814 is [CH]C(CC)N(C)C=O.
What is the InChIKey of CID 59972814?
The InChIKey is YMGGCBRWARWRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(2)7(3)5-8/h2,5-6H,4H2,1,3H3.
What are the key properties of CID 59972814?
CID 59972814 has a molecular weight of 113.16 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59972814 is sourced from PubChem (CID 59972814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).