azane;cyclononanone

C9H19NO — CID 172719607

IUPACazane;cyclononanone
SMILESN.O=C1CCCCCCCC1
InChIInChI=1S/C9H16O.H3N/c10-9-7-5-3-1-2-4-6-8-9;/h1-8H2;1H3
InChIKeyGHCJKLGDSZMMES-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.85
Rot. Bonds

About azane;cyclononanone

azane;cyclononanone (PubChem CID 172719607) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is azane;cyclononanone.

Molecular Properties

Compound Nameazane;cyclononanone
PubChem CID172719607
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameazane;cyclononanone
SMILESN.O=C1CCCCCCCC1
InChIInChI=1S/C9H16O.H3N/c10-9-7-5-3-1-2-4-6-8-9;/h1-8H2;1H3
InChIKeyGHCJKLGDSZMMES-UHFFFAOYSA-N
XLogP2.85
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;cyclononanone?
The IUPAC name of azane;cyclononanone (CID 172719607) is azane;cyclononanone.
What is the SMILES notation for azane;cyclononanone?
The canonical SMILES for azane;cyclononanone is N.O=C1CCCCCCCC1.
What is the InChIKey of azane;cyclononanone?
The InChIKey is GHCJKLGDSZMMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.H3N/c10-9-7-5-3-1-2-4-6-8-9;/h1-8H2;1H3.
What are the key properties of azane;cyclononanone?
azane;cyclononanone has a molecular weight of 157.26 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclononanone is sourced from PubChem (CID 172719607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).