CID 87899207

C6H13NNaO — CID 87899207

IUPAC—
SMILESCCCCCC(N)=O.[Na]
InChIInChI=1S/C6H13NO.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H2,7,8);
InChIKeyNOIHIPQGTNFCIF-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.67
Rot. Bonds4

About CID 87899207

CID 87899207 (PubChem CID 87899207) has the molecular formula C6H13NNaO and a molecular weight of 138.17 g/mol.

Molecular Properties

Compound NameCID 87899207
PubChem CID87899207
Molecular FormulaC6H13NNaO
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name—
SMILESCCCCCC(N)=O.[Na]
InChIInChI=1S/C6H13NO.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H2,7,8);
InChIKeyNOIHIPQGTNFCIF-UHFFFAOYSA-N
XLogP0.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 172852931
dodecanamide;N-methylmethanamine
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CID 22256983
acetamide;decanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of CID 87899207?
The IUPAC name of CID 87899207 (CID 87899207) is not available.
What is the SMILES notation for CID 87899207?
The canonical SMILES for CID 87899207 is CCCCCC(N)=O.[Na].
What is the InChIKey of CID 87899207?
The InChIKey is NOIHIPQGTNFCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H2,7,8);.
What are the key properties of CID 87899207?
CID 87899207 has a molecular weight of 138.17 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87899207 is sourced from PubChem (CID 87899207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).