(2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine

C7H10ClNO — CID 135275737

IUPAC(2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine
SMILESC/C1=C(\Cl)CCC/C=N\O1
InChIInChI=1S/C7H10ClNO/c1-6-7(8)4-2-3-5-9-10-6/h5H,2-4H2,1H3/b7-6+,9-5-
InChIKeyRWMFAZYAQIITEJ-MTNQHGNXSA-N
MW159.62 g/mol
LogP2.64
Rot. Bonds

About (2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine

(2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine (PubChem CID 135275737) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is (2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine.

Molecular Properties

Compound Name(2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine
PubChem CID135275737
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name(2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine
SMILESC/C1=C(\Cl)CCC/C=N\O1
InChIInChI=1S/C7H10ClNO/c1-6-7(8)4-2-3-5-9-10-6/h5H,2-4H2,1H3/b7-6+,9-5-
InChIKeyRWMFAZYAQIITEJ-MTNQHGNXSA-N
XLogP2.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine?
The IUPAC name of (2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine (CID 135275737) is (2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine.
What is the SMILES notation for (2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine?
The canonical SMILES for (2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine is C/C1=C(\Cl)CCC/C=N\O1.
What is the InChIKey of (2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine?
The InChIKey is RWMFAZYAQIITEJ-MTNQHGNXSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-6-7(8)4-2-3-5-9-10-6/h5H,2-4H2,1H3/b7-6+,9-5-.
What are the key properties of (2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine?
(2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine has a molecular weight of 159.62 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine is sourced from PubChem (CID 135275737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).