sodium;aniline;carbonic acid;hydride

C7H10NNaO3 — CID 175280477

IUPACsodium;aniline;carbonic acid;hydride
SMILESNc1ccccc1.O=C(O)O.[H-].[Na+]
InChIInChI=1S/C6H7N.CH2O3.Na.H/c7-6-4-2-1-3-5-6;2-1(3)4;;/h1-5H,7H2;(H2,2,3,4);;/q;;+1;-1
InChIKeyGKUPZPBDINTNSR-UHFFFAOYSA-N
MW179.15 g/mol
LogP-1.39
Rot. Bonds

About sodium;aniline;carbonic acid;hydride

sodium;aniline;carbonic acid;hydride (PubChem CID 175280477) has the molecular formula C7H10NNaO3 and a molecular weight of 179.15 g/mol. Its IUPAC name is sodium;aniline;carbonic acid;hydride.

Molecular Properties

Compound Namesodium;aniline;carbonic acid;hydride
PubChem CID175280477
Molecular FormulaC7H10NNaO3
Molecular Weight179.15 g/mol
Exact Mass179.06
IUPAC Namesodium;aniline;carbonic acid;hydride
SMILESNc1ccccc1.O=C(O)O.[H-].[Na+]
InChIInChI=1S/C6H7N.CH2O3.Na.H/c7-6-4-2-1-3-5-6;2-1(3)4;;/h1-5H,7H2;(H2,2,3,4);;/q;;+1;-1
InChIKeyGKUPZPBDINTNSR-UHFFFAOYSA-N
XLogP-1.39
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;aniline;carbonic acid;hydride?
The IUPAC name of sodium;aniline;carbonic acid;hydride (CID 175280477) is sodium;aniline;carbonic acid;hydride.
What is the SMILES notation for sodium;aniline;carbonic acid;hydride?
The canonical SMILES for sodium;aniline;carbonic acid;hydride is Nc1ccccc1.O=C(O)O.[H-].[Na+].
What is the InChIKey of sodium;aniline;carbonic acid;hydride?
The InChIKey is GKUPZPBDINTNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.CH2O3.Na.H/c7-6-4-2-1-3-5-6;2-1(3)4;;/h1-5H,7H2;(H2,2,3,4);;/q;;+1;-1.
What are the key properties of sodium;aniline;carbonic acid;hydride?
sodium;aniline;carbonic acid;hydride has a molecular weight of 179.15 g/mol, XLogP of -1.39, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;aniline;carbonic acid;hydride is sourced from PubChem (CID 175280477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).