CID 158833027

C4H9LiNO — CID 158833027

IUPAC—
SMILESCCCC(N)=O.[Li]
InChIInChI=1S/C4H9NO.Li/c1-2-3-4(5)6;/h2-3H2,1H3,(H2,5,6);
InChIKeyIXHAZNISHKWXBA-UHFFFAOYSA-N
MW94.06 g/mol
LogP-0.11
Rot. Bonds2

About CID 158833027

CID 158833027 (PubChem CID 158833027) has the molecular formula C4H9LiNO and a molecular weight of 94.06 g/mol.

Molecular Properties

Compound NameCID 158833027
PubChem CID158833027
Molecular FormulaC4H9LiNO
Molecular Weight94.06 g/mol
Exact Mass94.08
IUPAC Name—
SMILESCCCC(N)=O.[Li]
InChIInChI=1S/C4H9NO.Li/c1-2-3-4(5)6;/h2-3H2,1H3,(H2,5,6);
InChIKeyIXHAZNISHKWXBA-UHFFFAOYSA-N
XLogP-0.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.06
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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butanamide;hexan-2-one;propane
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tetrapentacontanamide
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acetamide;pentanamide
CID 158041283
CID 87899207
CID 87899207
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
dodecanamide;N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of CID 158833027?
The IUPAC name of CID 158833027 (CID 158833027) is not available.
What is the SMILES notation for CID 158833027?
The canonical SMILES for CID 158833027 is CCCC(N)=O.[Li].
What is the InChIKey of CID 158833027?
The InChIKey is IXHAZNISHKWXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.Li/c1-2-3-4(5)6;/h2-3H2,1H3,(H2,5,6);.
What are the key properties of CID 158833027?
CID 158833027 has a molecular weight of 94.06 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158833027 is sourced from PubChem (CID 158833027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).