(1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one

C10H18N2O — CID 146200989

IUPAC(1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one
SMILESCC(C)N1/N=C\CCCCCC1=O
InChIInChI=1S/C10H18N2O/c1-9(2)12-10(13)7-5-3-4-6-8-11-12/h8-9H,3-7H2,1-2H3/b11-8-
InChIKeyOVTDITRHQKXGEL-FLIBITNWSA-N
MW182.27 g/mol
LogP2.17
Rot. Bonds1

About (1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one

(1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one (PubChem CID 146200989) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one.

Molecular Properties

Compound Name(1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one
PubChem CID146200989
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one
SMILESCC(C)N1/N=C\CCCCCC1=O
InChIInChI=1S/C10H18N2O/c1-9(2)12-10(13)7-5-3-4-6-8-11-12/h8-9H,3-7H2,1-2H3/b11-8-
InChIKeyOVTDITRHQKXGEL-FLIBITNWSA-N
XLogP2.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one?
The IUPAC name of (1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one (CID 146200989) is (1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one.
What is the SMILES notation for (1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one?
The canonical SMILES for (1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one is CC(C)N1/N=C\CCCCCC1=O.
What is the InChIKey of (1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one?
The InChIKey is OVTDITRHQKXGEL-FLIBITNWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)12-10(13)7-5-3-4-6-8-11-12/h8-9H,3-7H2,1-2H3/b11-8-.
What are the key properties of (1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one?
(1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one has a molecular weight of 182.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-diazonin-3-one is sourced from PubChem (CID 146200989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).