azane;1H-pyridin-2-one

C5H8N2O — CID 22597684

IUPACazane;1H-pyridin-2-one
SMILESN.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.H3N/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H3
InChIKeyRCLNHHNNLGTOSV-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.54
Rot. Bonds

About azane;1H-pyridin-2-one

azane;1H-pyridin-2-one (PubChem CID 22597684) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is azane;1H-pyridin-2-one.

Molecular Properties

Compound Nameazane;1H-pyridin-2-one
PubChem CID22597684
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Nameazane;1H-pyridin-2-one
SMILESN.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.H3N/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H3
InChIKeyRCLNHHNNLGTOSV-UHFFFAOYSA-N
XLogP0.54
TPSA67.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;1H-pyridin-2-one?
The IUPAC name of azane;1H-pyridin-2-one (CID 22597684) is azane;1H-pyridin-2-one.
What is the SMILES notation for azane;1H-pyridin-2-one?
The canonical SMILES for azane;1H-pyridin-2-one is N.O=c1cccc[nH]1.
What is the InChIKey of azane;1H-pyridin-2-one?
The InChIKey is RCLNHHNNLGTOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.H3N/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H3.
What are the key properties of azane;1H-pyridin-2-one?
azane;1H-pyridin-2-one has a molecular weight of 112.13 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1H-pyridin-2-one is sourced from PubChem (CID 22597684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).