1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one

C11H18N2O — CID 106172173

IUPAC1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1CCC1=CCCC1
InChIInChI=1S/C11H18N2O/c14-11-12-7-3-8-13(11)9-6-10-4-1-2-5-10/h4H,1-3,5-9H2,(H,12,14)
InChIKeyUCIXTBWFXBZHJX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.90
Rot. Bonds3

About 1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one

1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one (PubChem CID 106172173) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one
PubChem CID106172173
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1CCC1=CCCC1
InChIInChI=1S/C11H18N2O/c14-11-12-7-3-8-13(11)9-6-10-4-1-2-5-10/h4H,1-3,5-9H2,(H,12,14)
InChIKeyUCIXTBWFXBZHJX-UHFFFAOYSA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one (CID 106172173) is 1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one is O=C1NCCCN1CCC1=CCCC1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one?
The InChIKey is UCIXTBWFXBZHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11-12-7-3-8-13(11)9-6-10-4-1-2-5-10/h4H,1-3,5-9H2,(H,12,14).
What are the key properties of 1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one?
1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 106172173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).