CID 66603050

C5H9NNaO — CID 66603050

IUPAC—
SMILESCC1CNC(=O)C1.[Na]
InChIInChI=1S/C5H9NO.Na/c1-4-2-5(7)6-3-4;/h4H,2-3H2,1H3,(H,6,7);
InChIKeyUARKGMGDAIZMGW-UHFFFAOYSA-N
MW122.12 g/mol
LogP-0.24
Rot. Bonds

About CID 66603050

CID 66603050 (PubChem CID 66603050) has the molecular formula C5H9NNaO and a molecular weight of 122.12 g/mol.

Molecular Properties

Compound NameCID 66603050
PubChem CID66603050
Molecular FormulaC5H9NNaO
Molecular Weight122.12 g/mol
Exact Mass122.06
IUPAC Name—
SMILESCC1CNC(=O)C1.[Na]
InChIInChI=1S/C5H9NO.Na/c1-4-2-5(7)6-3-4;/h4H,2-3H2,1H3,(H,6,7);
InChIKeyUARKGMGDAIZMGW-UHFFFAOYSA-N
XLogP-0.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 66603050?
The IUPAC name of CID 66603050 (CID 66603050) is not available.
What is the SMILES notation for CID 66603050?
The canonical SMILES for CID 66603050 is CC1CNC(=O)C1.[Na].
What is the InChIKey of CID 66603050?
The InChIKey is UARKGMGDAIZMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.Na/c1-4-2-5(7)6-3-4;/h4H,2-3H2,1H3,(H,6,7);.
What are the key properties of CID 66603050?
CID 66603050 has a molecular weight of 122.12 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66603050 is sourced from PubChem (CID 66603050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).