(6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one

C11H17NO — CID 174355006

IUPAC(6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one
SMILESCC(C)CC1/C=C\C=N/C(=O)CC1
InChIInChI=1S/C11H17NO/c1-9(2)8-10-4-3-7-12-11(13)6-5-10/h3-4,7,9-10H,5-6,8H2,1-2H3/b4-3-,12-7-
InChIKeyHCHWZRLVCKEUNU-DQXWCLFKSA-N
MW179.26 g/mol
LogP2.60
Rot. Bonds2

About (6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one

(6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one (PubChem CID 174355006) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one.

Molecular Properties

Compound Name(6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one
PubChem CID174355006
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one
SMILESCC(C)CC1/C=C\C=N/C(=O)CC1
InChIInChI=1S/C11H17NO/c1-9(2)8-10-4-3-7-12-11(13)6-5-10/h3-4,7,9-10H,5-6,8H2,1-2H3/b4-3-,12-7-
InChIKeyHCHWZRLVCKEUNU-DQXWCLFKSA-N
XLogP2.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one?
The IUPAC name of (6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one (CID 174355006) is (6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one.
What is the SMILES notation for (6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one?
The canonical SMILES for (6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one is CC(C)CC1/C=C\C=N/C(=O)CC1.
What is the InChIKey of (6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one?
The InChIKey is HCHWZRLVCKEUNU-DQXWCLFKSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2)8-10-4-3-7-12-11(13)6-5-10/h3-4,7,9-10H,5-6,8H2,1-2H3/b4-3-,12-7-.
What are the key properties of (6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one?
(6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-5-(2-methylpropyl)-4,5-dihydro-3H-azocin-2-one is sourced from PubChem (CID 174355006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).