carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine

C10H16N2O2 — CID 172855341

IUPACcarbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
SMILESC1CCC2=NCCCN2CC1.O=C=O
InChIInChI=1S/C9H16N2.CO2/c1-2-5-9-10-6-4-8-11(9)7-3-1;2-1-3/h1-8H2;
InChIKeyYPWPMWFWQBXEBJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.08
Rot. Bonds

About carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine

carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (PubChem CID 172855341) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine.

Molecular Properties

Compound Namecarbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
PubChem CID172855341
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namecarbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
SMILESC1CCC2=NCCCN2CC1.O=C=O
InChIInChI=1S/C9H16N2.CO2/c1-2-5-9-10-6-4-8-11(9)7-3-1;2-1-3/h1-8H2;
InChIKeyYPWPMWFWQBXEBJ-UHFFFAOYSA-N
XLogP1.08
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The IUPAC name of carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (CID 172855341) is carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine.
What is the SMILES notation for carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The canonical SMILES for carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine is C1CCC2=NCCCN2CC1.O=C=O.
What is the InChIKey of carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The InChIKey is YPWPMWFWQBXEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.CO2/c1-2-5-9-10-6-4-8-11(9)7-3-1;2-1-3/h1-8H2;.
What are the key properties of carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine has a molecular weight of 196.25 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine is sourced from PubChem (CID 172855341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).