(7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one

C7H11NO — CID 55285989

IUPAC(7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one
SMILESO=C1/C=C\NCCCC1
InChIInChI=1S/C7H11NO/c9-7-3-1-2-5-8-6-4-7/h4,6,8H,1-3,5H2/b6-4-
InChIKeyUUQISCOKTMDWPK-XQRVVYSFSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds

About (7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one

(7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one (PubChem CID 55285989) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one.

Molecular Properties

Compound Name(7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one
PubChem CID55285989
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one
SMILESO=C1/C=C\NCCCC1
InChIInChI=1S/C7H11NO/c9-7-3-1-2-5-8-6-4-7/h4,6,8H,1-3,5H2/b6-4-
InChIKeyUUQISCOKTMDWPK-XQRVVYSFSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one?
The IUPAC name of (7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one (CID 55285989) is (7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one.
What is the SMILES notation for (7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one?
The canonical SMILES for (7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one is O=C1/C=C\NCCCC1.
What is the InChIKey of (7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one?
The InChIKey is UUQISCOKTMDWPK-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-3-1-2-5-8-6-4-7/h4,6,8H,1-3,5H2/b6-4-.
What are the key properties of (7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one?
(7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2,3,4,5-tetrahydro-1H-azocin-6-one is sourced from PubChem (CID 55285989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).