sodium azanidacycloheptan-2-one

C6H10NNaO — CID 10964565

IUPACsodium azanidacycloheptan-2-one
SMILESO=C1CCCCC[N-]1.[Na+]
InChIInChI=1S/C6H11NO.Na/c8-6-4-2-1-3-5-7-6;/h1-5H2,(H,7,8);/q;+1/p-1
InChIKeyMOMGDEWWZBKDDR-UHFFFAOYSA-M
MW135.14 g/mol
LogP-1.54
Rot. Bonds

About sodium azanidacycloheptan-2-one

sodium azanidacycloheptan-2-one (PubChem CID 10964565) has the molecular formula C6H10NNaO and a molecular weight of 135.14 g/mol. Its IUPAC name is sodium azanidacycloheptan-2-one.

Molecular Properties

Compound Namesodium azanidacycloheptan-2-one
PubChem CID10964565
Molecular FormulaC6H10NNaO
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Namesodium azanidacycloheptan-2-one
SMILESO=C1CCCCC[N-]1.[Na+]
InChIInChI=1S/C6H11NO.Na/c8-6-4-2-1-3-5-7-6;/h1-5H2,(H,7,8);/q;+1/p-1
InChIKeyMOMGDEWWZBKDDR-UHFFFAOYSA-M
XLogP-1.54
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium azanidacycloheptan-2-one?
The IUPAC name of sodium azanidacycloheptan-2-one (CID 10964565) is sodium azanidacycloheptan-2-one.
What is the SMILES notation for sodium azanidacycloheptan-2-one?
The canonical SMILES for sodium azanidacycloheptan-2-one is O=C1CCCCC[N-]1.[Na+].
What is the InChIKey of sodium azanidacycloheptan-2-one?
The InChIKey is MOMGDEWWZBKDDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO.Na/c8-6-4-2-1-3-5-7-6;/h1-5H2,(H,7,8);/q;+1/p-1.
What are the key properties of sodium azanidacycloheptan-2-one?
sodium azanidacycloheptan-2-one has a molecular weight of 135.14 g/mol, XLogP of -1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium azanidacycloheptan-2-one is sourced from PubChem (CID 10964565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).