(7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine

C7H13NO — CID 170516761

IUPAC(7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine
SMILESC1=C\COCCCNC/1
InChIInChI=1S/C7H13NO/c1-2-6-9-7-3-5-8-4-1/h1-2,8H,3-7H2/b2-1-
InChIKeyROFPRVMQPIVFFD-UPHRSURJSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds

About (7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine

(7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine (PubChem CID 170516761) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine.

Molecular Properties

Compound Name(7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine
PubChem CID170516761
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine
SMILESC1=C\COCCCNC/1
InChIInChI=1S/C7H13NO/c1-2-6-9-7-3-5-8-4-1/h1-2,8H,3-7H2/b2-1-
InChIKeyROFPRVMQPIVFFD-UPHRSURJSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine?
The IUPAC name of (7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine (CID 170516761) is (7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine.
What is the SMILES notation for (7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine?
The canonical SMILES for (7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine is C1=C\COCCCNC/1.
What is the InChIKey of (7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine?
The InChIKey is ROFPRVMQPIVFFD-UPHRSURJSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-6-9-7-3-5-8-4-1/h1-2,8H,3-7H2/b2-1-.
What are the key properties of (7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine?
(7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2,3,4,5,6,9-hexahydro-1,5-oxazonine is sourced from PubChem (CID 170516761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).